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Showing NP-Card for Totopotensamide B (NP0010704)

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Record Information
Version2.0
Created at2021-01-05 20:07:59 UTC
Updated at2021-07-15 17:06:50 UTC
NP-MRD IDNP0010704
Secondary Accession NumbersNone
Natural Product Identification
Common NameTotopotensamide B
Provided ByNPAtlasNPAtlas Logo
Description Totopotensamide B is found in Streptomyces sp. 1053U.I.1a.1b. Totopotensamide B was first documented in 2012 (PMID: 22439622). Based on a literature review very few articles have been published on Totopotensamide B.
Structure
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MOL3D MOLSDF3D SDFPDBSMILESInChI

MOL for NP0010704 (Totopotensamide B)


  Mrv1652307012121343D          

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 61136  1  0  0  0  0
 64137  1  0  0  0  0
 64138  1  0  0  0  0
 65139  1  0  0  0  0
M  END
Download

3D MOL for NP0010704 (Totopotensamide B)

     RDKit          3D

139140  0  0  0  0  0  0  0  0999 V2000
  -11.9858    3.8502    1.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5811    2.6078    0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.4860    1.3522   -0.3125 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -8.8621    2.2601    1.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.9032   -0.1162    2.9013 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7214    1.3773    3.2737 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.6336    1.3653    1.7746 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6535    0.5636    1.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7602   -1.5918   -0.8628 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0170   -0.8965   -0.7486 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8770   -0.8525    0.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6049   -1.4679    1.3998 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0930    0.7460    1.7007 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.9532    0.5601    0.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2060    1.3084    0.4238 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0113    2.8284    0.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4057    0.8080    1.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0279   -0.4686    0.6861 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.3233   -0.8309    1.3264 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7632   -2.0584    0.8080 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4371    0.1099    1.3885 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2689    1.3863    2.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0541    0.4475    0.0390 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -6.6324   -0.8280   -2.0276 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7641   -1.6663   -2.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.6572    2.0087   -2.3892 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8343    3.8235    2.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D SDF for NP0010704 (Totopotensamide B)


  Mrv1652307012121343D          

139140  0  0  0  0            999 V2000
  -11.9858    3.8502    1.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5811    2.6078    0.4698 C   0  0  2  0  0  0  0  0  0  0  0  0
  -11.8518    1.9784   -0.6401 C   0  0  2  0  0  0  0  0  0  0  0  0
  -12.7555    0.7572   -1.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4860    1.3522   -0.3125 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -8.8621    2.2601    1.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0337    3.3531    2.1403 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0010704

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C(C(O[H])=C(Cl)C(=C1[H])[C@@]1([H])N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])C(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])[H])[C@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C1=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C45H72ClN7O14/c1-12-19(3)34-42(64)47-17-32(59)48-24(8)35(43(65)53-37(45(67)51-34)28-15-30(57)22(6)40(62)33(28)46)52-41(63)25(9)49-44(66)36(26(10)54)50-31(58)16-29(56)20(4)13-18(2)14-21(5)38(60)23(7)39(61)27(11)55/h15,18-21,23-27,34-39,54-55,57,60-62H,12-14,16-17H2,1-11H3,(H,47,64)(H,48,59)(H,49,66)(H,50,58)(H,51,67)(H,52,63)(H,53,65)/t18-,19+,20+,21+,23+,24-,25+,26-,27-,34+,35-,36-,37-,38-,39+/m1/s1

> <INCHI_KEY>
LACOKYPQGAPLII-HYZVQEKKSA-N

> <FORMULA>
C45H72ClN7O14

> <MOLECULAR_WEIGHT>
970.56

> <EXACT_MASS>
969.4825777

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
139

> <JCHEM_AVERAGE_POLARIZABILITY>
102.5535390310215

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
13

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4S,6S,8S,9R,10S,11S,12R)-N-[(1R,2R)-1-{[(1S)-1-{[(5S,11R,12R)-5-[(2S)-butan-2-yl]-2-(2-chloro-3,5-dihydroxy-4-methylphenyl)-11-methyl-3,6,9,13-tetraoxo-1,4,7,10-tetraazacyclotridecan-12-yl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]-9,11,12-trihydroxy-4,6,8,10-tetramethyl-3-oxotridecanamide

> <ALOGPS_LOGP>
2.15

> <JCHEM_LOGP>
0.027633666333334195

> <ALOGPS_LOGS>
-4.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.789162505905239

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.237484754083429

> <JCHEM_PKA_STRONGEST_BASIC>
-5.9496628920112675

> <JCHEM_POLAR_SURFACE_AREA>
342.1499999999999

> <JCHEM_REFRACTIVITY>
243.66030000000015

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.20e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4S,6S,8S,9R,10S,11S,12R)-N-[(1R,2R)-1-{[(1S)-1-{[(5S,11R,12R)-5-[(2S)-butan-2-yl]-2-(2-chloro-3,5-dihydroxy-4-methylphenyl)-11-methyl-3,6,9,13-tetraoxo-1,4,7,10-tetraazacyclotridecan-12-yl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]-9,11,12-trihydroxy-4,6,8,10-tetramethyl-3-oxotridecanamide

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0010704 (Totopotensamide B)

     RDKit          3D

139140  0  0  0  0  0  0  0  0999 V2000
  -11.9858    3.8502    1.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5811    2.6078    0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8518    1.9784   -0.6401 C   0  0  2  0  0  0  0  0  0  0  0  0
  -12.7555    0.7572   -1.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4860    1.3522   -0.3125 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.5136    2.2376    0.2254 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8621    2.2601    1.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0337    3.3531    2.1403 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0113    1.2511    2.1340 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.5921   -0.0628    2.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0193   -1.2854    2.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6761   -2.4722    2.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1046   -3.7163    2.1628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9637   -2.4876    2.9218 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7034   -3.7409    3.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5487   -1.2833    3.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8386   -1.2617    3.6889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9032   -0.1162    2.9013 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7214    1.3773    3.2737 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.6336    1.3653    1.7746 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6535    0.5636    1.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7124    0.1854    2.0543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4159    0.0069   -0.1159 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1070    0.3535   -0.6265 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0003   -0.5157   -0.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1111   -1.6882   -0.2724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7201   -0.0611   -1.2474 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0248    0.2179   -2.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6802   -1.0764   -1.1755 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6324   -0.6390   -0.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9237    0.5978   -0.8088 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7602   -1.5918   -0.8628 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0170   -0.8965   -0.7486 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8770   -0.8525    0.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6049   -1.4679    1.3998 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1538   -0.0548    0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530   -0.1212    1.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5020   -0.7946    2.5506 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0930    0.7460    1.7007 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7203    0.5852    3.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9532    0.5601    0.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2060    1.3084    0.4238 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0113    2.8284    0.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4057    0.8080    1.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0279   -0.4686    0.6861 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1285   -1.6707    0.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3233   -0.8309    1.3264 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7632   -2.0584    0.8080 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4371    0.1099    1.3885 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2689    1.3863    2.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0541    0.4475    0.0390 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1924    1.0027   -0.8622 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9276   -0.6479   -0.5134 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.8501   -0.0929   -1.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7754   -1.1650    0.4833 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6925   -2.5557   -2.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7149   -1.9023   -3.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6881   -3.5152   -1.8472 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5250    0.2615   -1.0769 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4812    1.6009   -1.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6324   -0.8280   -2.0276 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7641   -1.6663   -2.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5607   -2.7417   -2.8166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0986   -1.4118   -1.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7835   -0.2923   -2.1881 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9467    0.9888   -1.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6572    2.0087   -2.3892 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8343    3.8235    2.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6840    4.7462    0.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0583    4.1272    0.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5944    2.9118    0.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8658    1.8655    1.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8224    2.6082   -1.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0997    0.1136   -1.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6647    1.1061   -1.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9888    0.1869   -0.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7037    0.4410    0.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2368    3.0253   -0.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0158    1.6453    3.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0365   -1.3309    1.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1804   -3.7931    1.7878 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6333   -3.7361    2.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0889   -3.7855    4.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1532   -4.6377    2.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3467   -2.1036    3.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2633    2.3848    1.9957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3740   -1.1159    0.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9640    1.3381   -0.9744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3622    0.9198   -0.8847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3550   -0.7936   -3.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1427    0.6055   -3.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8669    0.9393   -2.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9168   -2.0786   -1.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6166   -2.1628    0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3174   -0.3527   -1.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9716    0.9840   -0.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8382   -0.4911   -0.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6400    1.7925    1.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2959    1.5167    3.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0221   -0.5188    0.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2757    0.8993   -0.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4631    1.2590   -0.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2221    3.1317   -0.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2606    0.7694    2.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

PDB for NP0010704 (Totopotensamide B)

HEADER    PROTEIN                                 01-JUL-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-JUL-21         0                                  
HETATM    1  C   UNK     0     -11.986   3.850   1.042  0.00  0.00           C+0
HETATM    2  C   UNK     0     -12.581   2.608   0.470  0.00  0.00           C+0
HETATM    3  C   UNK     0     -11.852   1.978  -0.640  0.00  0.00           C+0
HETATM    4  C   UNK     0     -12.755   0.757  -1.051  0.00  0.00           C+0
HETATM    5  C   UNK     0     -10.486   1.352  -0.313  0.00  0.00           C+0
HETATM    6  N   UNK     0      -9.514   2.238   0.225  0.00  0.00           N+0
HETATM    7  C   UNK     0      -8.862   2.260   1.467  0.00  0.00           C+0
HETATM    8  O   UNK     0      -9.034   3.353   2.140  0.00  0.00           O+0
HETATM    9  C   UNK     0      -8.011   1.251   2.134  0.00  0.00           C+0
HETATM   10  C   UNK     0      -8.592  -0.063   2.365  0.00  0.00           C+0
HETATM   11  C   UNK     0      -8.019  -1.285   2.131  0.00  0.00           C+0
HETATM   12  C   UNK     0      -8.676  -2.472   2.397  0.00  0.00           C+0
HETATM   13  O   UNK     0      -8.105  -3.716   2.163  0.00  0.00           O+0
HETATM   14  C   UNK     0      -9.964  -2.488   2.922  0.00  0.00           C+0
HETATM   15  C   UNK     0     -10.703  -3.741   3.219  0.00  0.00           C+0
HETATM   16  C   UNK     0     -10.549  -1.283   3.163  0.00  0.00           C+0
HETATM   17  O   UNK     0     -11.839  -1.262   3.689  0.00  0.00           O+0
HETATM   18  C   UNK     0      -9.903  -0.116   2.901  0.00  0.00           C+0
HETATM   19 Cl   UNK     0     -10.721   1.377   3.274  0.00  0.00          Cl+0
HETATM   20  N   UNK     0      -6.634   1.365   1.775  0.00  0.00           N+0
HETATM   21  C   UNK     0      -5.654   0.564   1.244  0.00  0.00           C+0
HETATM   22  O   UNK     0      -4.712   0.185   2.054  0.00  0.00           O+0
HETATM   23  C   UNK     0      -5.416   0.007  -0.116  0.00  0.00           C+0
HETATM   24  N   UNK     0      -4.107   0.354  -0.627  0.00  0.00           N+0
HETATM   25  C   UNK     0      -3.000  -0.516  -0.691  0.00  0.00           C+0
HETATM   26  O   UNK     0      -3.111  -1.688  -0.272  0.00  0.00           O+0
HETATM   27  C   UNK     0      -1.720  -0.061  -1.247  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.025   0.218  -2.749  0.00  0.00           C+0
HETATM   29  N   UNK     0      -0.680  -1.076  -1.176  0.00  0.00           N+0
HETATM   30  C   UNK     0       0.632  -0.639  -0.949  0.00  0.00           C+0
HETATM   31  O   UNK     0       0.924   0.598  -0.809  0.00  0.00           O+0
HETATM   32  C   UNK     0       1.760  -1.592  -0.863  0.00  0.00           C+0
HETATM   33  N   UNK     0       3.017  -0.897  -0.749  0.00  0.00           N+0
HETATM   34  C   UNK     0       3.877  -0.853   0.350  0.00  0.00           C+0
HETATM   35  O   UNK     0       3.605  -1.468   1.400  0.00  0.00           O+0
HETATM   36  C   UNK     0       5.154  -0.055   0.297  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.853  -0.121   1.605  0.00  0.00           C+0
HETATM   38  O   UNK     0       5.502  -0.795   2.551  0.00  0.00           O+0
HETATM   39  C   UNK     0       7.093   0.746   1.701  0.00  0.00           C+0
HETATM   40  C   UNK     0       7.720   0.585   3.037  0.00  0.00           C+0
HETATM   41  C   UNK     0       7.953   0.560   0.499  0.00  0.00           C+0
HETATM   42  C   UNK     0       9.206   1.308   0.424  0.00  0.00           C+0
HETATM   43  C   UNK     0       9.011   2.828   0.521  0.00  0.00           C+0
HETATM   44  C   UNK     0      10.406   0.808   1.088  0.00  0.00           C+0
HETATM   45  C   UNK     0      11.028  -0.469   0.686  0.00  0.00           C+0
HETATM   46  C   UNK     0      10.129  -1.671   0.853  0.00  0.00           C+0
HETATM   47  C   UNK     0      12.323  -0.831   1.326  0.00  0.00           C+0
HETATM   48  O   UNK     0      12.763  -2.058   0.808  0.00  0.00           O+0
HETATM   49  C   UNK     0      13.437   0.110   1.389  0.00  0.00           C+0
HETATM   50  C   UNK     0      13.269   1.386   2.138  0.00  0.00           C+0
HETATM   51  C   UNK     0      14.054   0.448   0.039  0.00  0.00           C+0
HETATM   52  O   UNK     0      13.192   1.003  -0.862  0.00  0.00           O+0
HETATM   53  C   UNK     0      14.928  -0.648  -0.513  0.00  0.00           C+0
HETATM   54  C   UNK     0      15.850  -0.093  -1.591  0.00  0.00           C+0
HETATM   55  O   UNK     0      15.775  -1.165   0.483  0.00  0.00           O+0
HETATM   56  C   UNK     0       1.692  -2.556  -2.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       1.715  -1.902  -3.346  0.00  0.00           C+0
HETATM   58  O   UNK     0       2.688  -3.515  -1.847  0.00  0.00           O+0
HETATM   59  C   UNK     0      -6.525   0.262  -1.077  0.00  0.00           C+0
HETATM   60  C   UNK     0      -6.481   1.601  -1.756  0.00  0.00           C+0
HETATM   61  N   UNK     0      -6.632  -0.828  -2.028  0.00  0.00           N+0
HETATM   62  C   UNK     0      -7.764  -1.666  -2.143  0.00  0.00           C+0
HETATM   63  O   UNK     0      -7.561  -2.742  -2.817  0.00  0.00           O+0
HETATM   64  C   UNK     0      -9.099  -1.412  -1.573  0.00  0.00           C+0
HETATM   65  N   UNK     0      -9.784  -0.292  -2.188  0.00  0.00           N+0
HETATM   66  C   UNK     0      -9.947   0.989  -1.704  0.00  0.00           C+0
HETATM   67  O   UNK     0      -9.657   2.009  -2.389  0.00  0.00           O+0
HETATM   68  H   UNK     0     -11.834   3.824   2.138  0.00  0.00           H+0
HETATM   69  H   UNK     0     -12.684   4.746   0.907  0.00  0.00           H+0
HETATM   70  H   UNK     0     -11.058   4.127   0.490  0.00  0.00           H+0
HETATM   71  H   UNK     0     -13.594   2.912   0.051  0.00  0.00           H+0
HETATM   72  H   UNK     0     -12.866   1.865   1.257  0.00  0.00           H+0
HETATM   73  H   UNK     0     -11.822   2.608  -1.529  0.00  0.00           H+0
HETATM   74  H   UNK     0     -12.100   0.114  -1.670  0.00  0.00           H+0
HETATM   75  H   UNK     0     -13.665   1.106  -1.538  0.00  0.00           H+0
HETATM   76  H   UNK     0     -12.989   0.187  -0.130  0.00  0.00           H+0
HETATM   77  H   UNK     0     -10.704   0.441   0.231  0.00  0.00           H+0
HETATM   78  H   UNK     0      -9.237   3.025  -0.477  0.00  0.00           H+0
HETATM   79  H   UNK     0      -8.016   1.645   3.255  0.00  0.00           H+0
HETATM   80  H   UNK     0      -7.037  -1.331   1.741  0.00  0.00           H+0
HETATM   81  H   UNK     0      -7.180  -3.793   1.788  0.00  0.00           H+0
HETATM   82  H   UNK     0     -11.633  -3.736   2.577  0.00  0.00           H+0
HETATM   83  H   UNK     0     -11.089  -3.785   4.262  0.00  0.00           H+0
HETATM   84  H   UNK     0     -10.153  -4.638   2.909  0.00  0.00           H+0
HETATM   85  H   UNK     0     -12.347  -2.104   3.894  0.00  0.00           H+0
HETATM   86  H   UNK     0      -6.263   2.385   1.996  0.00  0.00           H+0
HETATM   87  H   UNK     0      -5.374  -1.116   0.057  0.00  0.00           H+0
HETATM   88  H   UNK     0      -3.964   1.338  -0.974  0.00  0.00           H+0
HETATM   89  H   UNK     0      -1.362   0.920  -0.885  0.00  0.00           H+0
HETATM   90  H   UNK     0      -2.355  -0.794  -3.118  0.00  0.00           H+0
HETATM   91  H   UNK     0      -1.143   0.606  -3.264  0.00  0.00           H+0
HETATM   92  H   UNK     0      -2.867   0.939  -2.735  0.00  0.00           H+0
HETATM   93  H   UNK     0      -0.917  -2.079  -1.292  0.00  0.00           H+0
HETATM   94  H   UNK     0       1.617  -2.163   0.098  0.00  0.00           H+0
HETATM   95  H   UNK     0       3.317  -0.353  -1.613  0.00  0.00           H+0
HETATM   96  H   UNK     0       4.972   0.984  -0.046  0.00  0.00           H+0
HETATM   97  H   UNK     0       5.838  -0.491  -0.468  0.00  0.00           H+0
HETATM   98  H   UNK     0       6.640   1.793   1.710  0.00  0.00           H+0
HETATM   99  H   UNK     0       6.860   0.552   3.794  0.00  0.00           H+0
HETATM  100  H   UNK     0       8.296   1.517   3.320  0.00  0.00           H+0
HETATM  101  H   UNK     0       8.354  -0.298   3.170  0.00  0.00           H+0
HETATM  102  H   UNK     0       8.022  -0.519   0.305  0.00  0.00           H+0
HETATM  103  H   UNK     0       7.276   0.899  -0.389  0.00  0.00           H+0
HETATM  104  H   UNK     0       9.463   1.259  -0.752  0.00  0.00           H+0
HETATM  105  H   UNK     0       8.892   3.175   1.544  0.00  0.00           H+0
HETATM  106  H   UNK     0       8.222   3.132  -0.172  0.00  0.00           H+0
HETATM  107  H   UNK     0       9.963   3.273   0.135  0.00  0.00           H+0
HETATM  108  H   UNK     0      10.261   0.769   2.215  0.00  0.00           H+0
HETATM  109  H   UNK     0      11.198   1.627   0.906  0.00  0.00           H+0
HETATM  110  H   UNK     0      11.156  -0.392  -0.447  0.00  0.00           H+0
HETATM  111  H   UNK     0       9.678  -2.022  -0.117  0.00  0.00           H+0
HETATM  112  H   UNK     0      10.768  -2.598   1.123  0.00  0.00           H+0
HETATM  113  H   UNK     0       9.441  -1.630   1.695  0.00  0.00           H+0
HETATM  114  H   UNK     0      12.057  -1.105   2.412  0.00  0.00           H+0
HETATM  115  H   UNK     0      12.329  -2.313  -0.032  0.00  0.00           H+0
HETATM  116  H   UNK     0      14.286  -0.458   1.907  0.00  0.00           H+0
HETATM  117  H   UNK     0      12.459   1.413   2.866  0.00  0.00           H+0
HETATM  118  H   UNK     0      13.352   2.271   1.467  0.00  0.00           H+0
HETATM  119  H   UNK     0      14.205   1.510   2.790  0.00  0.00           H+0
HETATM  120  H   UNK     0      14.795   1.281   0.295  0.00  0.00           H+0
HETATM  121  H   UNK     0      13.608   1.706  -1.423  0.00  0.00           H+0
HETATM  122  H   UNK     0      14.327  -1.484  -0.896  0.00  0.00           H+0
HETATM  123  H   UNK     0      15.192   0.279  -2.414  0.00  0.00           H+0
HETATM  124  H   UNK     0      16.395  -0.954  -2.015  0.00  0.00           H+0
HETATM  125  H   UNK     0      16.479   0.713  -1.211  0.00  0.00           H+0
HETATM  126  H   UNK     0      16.175  -0.358   0.915  0.00  0.00           H+0
HETATM  127  H   UNK     0       0.731  -3.112  -1.924  0.00  0.00           H+0
HETATM  128  H   UNK     0       0.679  -1.720  -3.700  0.00  0.00           H+0
HETATM  129  H   UNK     0       2.222  -2.504  -4.129  0.00  0.00           H+0
HETATM  130  H   UNK     0       2.179  -0.891  -3.238  0.00  0.00           H+0
HETATM  131  H   UNK     0       2.555  -3.943  -0.967  0.00  0.00           H+0
HETATM  132  H   UNK     0      -7.473   0.225  -0.478  0.00  0.00           H+0
HETATM  133  H   UNK     0      -7.055   2.319  -1.173  0.00  0.00           H+0
HETATM  134  H   UNK     0      -7.038   1.460  -2.732  0.00  0.00           H+0
HETATM  135  H   UNK     0      -5.486   1.944  -2.065  0.00  0.00           H+0
HETATM  136  H   UNK     0      -5.789  -0.967  -2.650  0.00  0.00           H+0
HETATM  137  H   UNK     0      -9.116  -1.346  -0.469  0.00  0.00           H+0
HETATM  138  H   UNK     0      -9.729  -2.327  -1.788  0.00  0.00           H+0
HETATM  139  H   UNK     0     -10.217  -0.491  -3.144  0.00  0.00           H+0
CONECT    1    2   68   69   70                                             
CONECT    2    1    3   71   72                                             
CONECT    3    2    4    5   73                                             
CONECT    4    3   74   75   76                                             
CONECT    5    3    6   66   77                                             
CONECT    6    5    7   78                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   20   79                                             
CONECT   10    9   11   18                                                  
CONECT   11   10   12   80                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12   81                                                       
CONECT   14   12   15   16                                                  
CONECT   15   14   82   83   84                                             
CONECT   16   14   17   18                                                  
CONECT   17   16   85                                                       
CONECT   18   16   19   10                                                  
CONECT   19   18                                                            
CONECT   20    9   21   86                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   59   87                                             
CONECT   24   23   25   88                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   29   89                                             
CONECT   28   27   90   91   92                                             
CONECT   29   27   30   93                                                  
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   56   94                                             
CONECT   33   32   34   95                                                  
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   96   97                                             
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40   41   98                                             
CONECT   40   39   99  100  101                                             
CONECT   41   39   42  102  103                                             
CONECT   42   41   43   44  104                                             
CONECT   43   42  105  106  107                                             
CONECT   44   42   45  108  109                                             
CONECT   45   44   46   47  110                                             
CONECT   46   45  111  112  113                                             
CONECT   47   45   48   49  114                                             
CONECT   48   47  115                                                       
CONECT   49   47   50   51  116                                             
CONECT   50   49  117  118  119                                             
CONECT   51   49   52   53  120                                             
CONECT   52   51  121                                                       
CONECT   53   51   54   55  122                                             
CONECT   54   53  123  124  125                                             
CONECT   55   53  126                                                       
CONECT   56   32   57   58  127                                             
CONECT   57   56  128  129  130                                             
CONECT   58   56  131                                                       
CONECT   59   23   60   61  132                                             
CONECT   60   59  133  134  135                                             
CONECT   61   59   62  136                                                  
CONECT   62   61   63   64                                                  
CONECT   63   62                                                            
CONECT   64   62   65  137  138                                             
CONECT   65   64   66  139                                                  
CONECT   66   65   67    5                                                  
CONECT   67   66                                                            
CONECT   68    1                                                            
CONECT   69    1                                                            
CONECT   70    1                                                            
CONECT   71    2                                                            
CONECT   72    2                                                            
CONECT   73    3                                                            
CONECT   74    4                                                            
CONECT   75    4                                                            
CONECT   76    4                                                            
CONECT   77    5                                                            
CONECT   78    6                                                            
CONECT   79    9                                                            
CONECT   80   11                                                            
CONECT   81   13                                                            
CONECT   82   15                                                            
CONECT   83   15                                                            
CONECT   84   15                                                            
CONECT   85   17                                                            
CONECT   86   20                                                            
CONECT   87   23                                                            
CONECT   88   24                                                            
CONECT   89   27                                                            
CONECT   90   28                                                            
CONECT   91   28                                                            
CONECT   92   28                                                            
CONECT   93   29                                                            
CONECT   94   32                                                            
CONECT   95   33                                                            
CONECT   96   36                                                            
CONECT   97   36                                                            
CONECT   98   39                                                            
CONECT   99   40                                                            
CONECT  100   40                                                            
CONECT  101   40                                                            
CONECT  102   41                                                            
CONECT  103   41                                                            
CONECT  104   42                                                            
CONECT  105   43                                                            
CONECT  106   43                                                            
CONECT  107   43                                                            
CONECT  108   44                                                            
CONECT  109   44                                                            
CONECT  110   45                                                            
CONECT  111   46                                                            
CONECT  112   46                                                            
CONECT  113   46                                                            
CONECT  114   47                                                            
CONECT  115   48                                                            
CONECT  116   49                                                            
CONECT  117   50                                                            
CONECT  118   50                                                            
CONECT  119   50                                                            
CONECT  120   51                                                            
CONECT  121   52                                                            
CONECT  122   53                                                            
CONECT  123   54                                                            
CONECT  124   54                                                            
CONECT  125   54                                                            
CONECT  126   55                                                            
CONECT  127   56                                                            
CONECT  128   57                                                            
CONECT  129   57                                                            
CONECT  130   57                                                            
CONECT  131   58                                                            
CONECT  132   59                                                            
CONECT  133   60                                                            
CONECT  134   60                                                            
CONECT  135   60                                                            
CONECT  136   61                                                            
CONECT  137   64                                                            
CONECT  138   64                                                            
CONECT  139   65                                                            
MASTER        0    0    0    0    0    0    0    0  139    0  280    0
END
Download

3D PDB for NP0010704 (Totopotensamide B)

Download
SMILES for NP0010704 (Totopotensamide B)
[H]OC1=C(C(O[H])=C(Cl)C(=C1[H])[C@@]1([H])N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])C(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])[H])[C@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C1=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
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INCHI for NP0010704 (Totopotensamide B)
InChI=1S/C45H72ClN7O14/c1-12-19(3)34-42(64)47-17-32(59)48-24(8)35(43(65)53-37(45(67)51-34)28-15-30(57)22(6)40(62)33(28)46)52-41(63)25(9)49-44(66)36(26(10)54)50-31(58)16-29(56)20(4)13-18(2)14-21(5)38(60)23(7)39(61)27(11)55/h15,18-21,23-27,34-39,54-55,57,60-62H,12-14,16-17H2,1-11H3,(H,47,64)(H,48,59)(H,49,66)(H,50,58)(H,51,67)(H,52,63)(H,53,65)/t18-,19+,20+,21+,23+,24-,25+,26-,27-,34+,35-,36-,37-,38-,39+/m1/s1
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Synonyms
ValueSource
(8S,9R,10S,11S,12R)-N-[(1R,2R)-1-{[(1S)-1-{[(6S,9R,12R,13R)-6-[(2S)-butan-2-yl]-9-(2-chloro-3,5-dihydroxy-4-methylphenyl)-2,5,8,11-tetrahydroxy-13-methyl-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraen-12-yl]-C-hydroxycarbonimidoyl}ethyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl]-9,11,12-trihydroxy-4,6,8,10-tetramethyl-3-oxotridecanimidateGenerator
Chemical FormulaC45H72ClN7O14
Average Mass970.5600 Da
Monoisotopic Mass969.48258 Da
IUPAC Name(4S,6S,8S,9R,10S,11S,12R)-N-[(1R,2R)-1-{[(1S)-1-{[(5S,11R,12R)-5-[(2S)-butan-2-yl]-2-(2-chloro-3,5-dihydroxy-4-methylphenyl)-11-methyl-3,6,9,13-tetraoxo-1,4,7,10-tetraazacyclotridecan-12-yl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]-9,11,12-trihydroxy-4,6,8,10-tetramethyl-3-oxotridecanamide
Traditional Name(4S,6S,8S,9R,10S,11S,12R)-N-[(1R,2R)-1-{[(1S)-1-{[(5S,11R,12R)-5-[(2S)-butan-2-yl]-2-(2-chloro-3,5-dihydroxy-4-methylphenyl)-11-methyl-3,6,9,13-tetraoxo-1,4,7,10-tetraazacyclotridecan-12-yl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]-9,11,12-trihydroxy-4,6,8,10-tetramethyl-3-oxotridecanamide
CAS Registry NumberNot Available
SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)CC(=O)C(C)CC(C)C[C@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)NC(=O)CNC1=O)C1=CC(O)=C(C)C(O)=C1Cl
InChI Identifier
InChI=1S/C45H72ClN7O14/c1-12-19(3)34-42(64)47-17-32(59)48-24(8)35(43(65)53-37(45(67)51-34)28-15-30(57)22(6)40(62)33(28)46)52-41(63)25(9)49-44(66)36(26(10)54)50-31(58)16-29(56)20(4)13-18(2)14-21(5)38(60)23(7)39(61)27(11)55/h15,18-21,23-27,34-39,54-55,57,60-62H,12-14,16-17H2,1-11H3,(H,47,64)(H,48,59)(H,49,66)(H,50,58)(H,51,67)(H,52,63)(H,53,65)/t18?,19-,20?,21-,23-,24+,25-,26+,27+,34-,35+,36+,37+,38+,39-/m0/s1
InChI KeyLACOKYPQGAPLII-HYZVQEKKSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Streptomyces sp. 1053U.I.1a.1bNPAtlas
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP2.15ALOGPS
logP0.028ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)8.24ChemAxon
pKa (Strongest Basic)-5.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count14ChemAxon
Hydrogen Donor Count13ChemAxon
Polar Surface Area342.15 ŲChemAxon
Rotatable Bond Count20ChemAxon
Refractivity243.66 m³·mol⁻¹ChemAxon
Polarizability102.55 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
NPAtlas IDNPA011427  
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID29214366  
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound57409241  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Lin Z, Flores M, Forteza I, Henriksen NM, Concepcion GP, Rosenberg G, Haygood MG, Olivera BM, Light AR, Cheatham TE 3rd, Schmidt EW: Totopotensamides, polyketide-cyclic peptide hybrids from a mollusk-associated bacterium Streptomyces sp. J Nat Prod. 2012 Apr 27;75(4):644-9. doi: 10.1021/np200886x. Epub 2012 Mar 22. [PubMed:22439622  ]