NP-MRD: Showing NP-Card for Bacilotetrin A (NP0017211)

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Record Information

Version

2.0

Created at

2021-01-06 01:59:13 UTC

Updated at

2021-07-15 17:24:52 UTC

NP-MRD ID

NP0017211

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Bacilotetrin A

Provided By

NPAtlas

Description

Bacilotetrin A is found in Bacillus. Based on a literature review very few articles have been published on Bacilotetrin A.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652307042107253D          

115115  0  0  0  0            999 V2000
   10.9942    0.8301   -0.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7381    0.0806   -1.0056 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9069   -0.0989    0.2199 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5580    1.2439    0.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6780   -0.9576   -0.0410 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7898   -0.3635   -1.0783 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5836   -1.2113   -1.3527 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7658   -1.3757   -0.1133 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5086   -2.2193   -0.3489 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5924   -1.6178   -1.3738 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1052   -0.2505   -1.0255 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3424   -0.1979    0.2587 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0961   -1.0561    0.2335 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2937   -1.4513    1.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2298   -0.8168    2.5754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2010   -2.4802    1.9084 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161   -2.6425    1.0818 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -5.0081    0.6845   -0.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1748    0.8136   -0.2533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4707    1.7740   -1.4229 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1702    2.4006   -1.1960 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1939    3.8721   -1.5223 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1460    4.6941   -0.7292 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9793    6.1453   -1.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6002    4.3779   -0.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6908    2.2227    0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6248    2.1598    1.0667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3900    2.1106    0.6573 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2730    2.9874    0.4446 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3894    4.2709    1.1984 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5429    4.2117    2.6581 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4652    3.5964    3.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5443    3.0590    3.1903 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1973    3.5932    4.8840 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0169    3.1187    0.2745 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1700    1.0346    0.8438 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2417    0.7198    0.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6205    1.2346    1.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3675    1.5537    1.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0558   -1.9307   -0.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4187    0.6496   -0.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3242   -0.2494   -2.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9041   -2.2059   -1.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4761   -0.4137    0.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3682   -1.9972    0.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9127   -3.1839   -0.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7588   -2.3188   -1.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1568   -1.6060   -2.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4319    0.0613   -1.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9472    0.4799   -1.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0285   -0.7643    0.9988 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5691   -7.0228    0.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9388   -2.5190   -1.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6873   -1.2926   -2.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

115115  0  0  0  0  0  0  0  0999 V2000
   10.9942    0.8301   -0.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7381    0.0806   -1.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6780   -0.9576   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0961   -1.0561    0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2937   -1.4513    1.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2298   -0.8168    2.5754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2010   -2.4802    1.9084 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161   -2.6425    1.0818 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -3.4205   -1.7391    1.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4321   -1.7261    2.9593 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652307042107253D          

115115  0  0  0  0            999 V2000
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   -0.5474    4.1028    5.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 46115  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0017211

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC(=O)C([H])([H])C([H])([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@]([H])(OC1=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C37H66N4O8/c1-9-26(8)15-13-11-10-12-14-16-27-22-32(42)38-29(19-23(2)3)34(45)40-31(21-25(6)7)36(47)41-30(20-24(4)5)35(46)39-28(37(48)49-27)17-18-33(43)44/h23-31H,9-22H2,1-8H3,(H,38,42)(H,39,46)(H,40,45)(H,41,47)(H,43,44)/t26-,27-,28+,29+,30+,31+/m1/s1

> <INCHI_KEY>
UBOCYUXOELCZII-REVKYEQOSA-N

> <FORMULA>
C37H66N4O8

> <MOLECULAR_WEIGHT>
694.955

> <EXACT_MASS>
694.488065101

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
115

> <JCHEM_AVERAGE_POLARIZABILITY>
78.98759194921129

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-[(3S,6S,9S,12S,16R)-16-[(8R)-8-methyldecyl]-6,9,12-tris(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-3-yl]propanoic acid

> <ALOGPS_LOGP>
3.83

> <JCHEM_LOGP>
5.906659711333333

> <ALOGPS_LOGS>
-5.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.706123874727888

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.889878040429707

> <JCHEM_PKA_STRONGEST_BASIC>
-1.8516562406457977

> <JCHEM_POLAR_SURFACE_AREA>
179.99999999999997

> <JCHEM_REFRACTIVITY>
186.85330000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.77e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-[(3S,6S,9S,12S,16R)-16-[(8R)-8-methyldecyl]-6,9,12-tris(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-3-yl]propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

115115  0  0  0  0  0  0  0  0999 V2000
   10.9942    0.8301   -0.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7381    0.0806   -1.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9069   -0.0989    0.2199 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5580    1.2439    0.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6780   -0.9576   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7898   -0.3635   -1.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5836   -1.2113   -1.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7658   -1.3757   -0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5086   -2.2193   -0.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5924   -1.6178   -1.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1052   -0.2505   -1.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3424   -0.1979    0.2587 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0961   -1.0561    0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2937   -1.4513    1.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2298   -0.8168    2.5754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2010   -2.4802    1.9084 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161   -2.6425    1.0818 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8300   -4.1051    1.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6987   -4.9637    0.7728 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3635   -4.7469   -0.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0360   -6.4364    0.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4205   -1.7391    1.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4321   -1.7261    2.9593 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3365   -0.9186    0.9890 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3373   -0.6180   -0.4280 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7491   -1.7292   -1.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0643   -2.3506   -1.2101 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4647   -2.9905    0.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2164   -1.5148   -1.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0081    0.6845   -0.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1748    0.8136   -0.2533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4707    1.7740   -1.4229 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1702    2.4006   -1.1960 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1939    3.8721   -1.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1460    4.6941   -0.7292 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9793    6.1453   -1.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6002    4.3779   -0.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6908    2.2227    0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6248    2.1598    1.0667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3900    2.1106    0.6573 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2730    2.9874    0.4446 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3894    4.2709    1.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5429    4.2117    2.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4652    3.5964    3.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5443    3.0590    3.1903 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1973    3.5932    4.8840 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0340    2.3083    0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0169    3.1187    0.2745 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1700    1.0346    0.8438 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2417    0.7198    0.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8531    1.9343   -0.7673 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8520    0.4997   -1.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0366   -0.9286   -1.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2164    0.6466   -1.7917 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5212   -0.6395    0.9746 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5266    2.0428   -0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6205    1.2346    1.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3675    1.5537    1.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1341   -1.1571    0.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0558   -1.9307   -0.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4187    0.6496   -0.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3242   -0.2494   -2.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9041   -2.2059   -1.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9424   -0.6959   -2.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4761   -0.4137    0.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3682   -1.9972    0.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0735   -2.4386    0.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9127   -3.1839   -0.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7588   -2.3188   -1.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1568   -1.6060   -2.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4319    0.0613   -1.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9472    0.4799   -1.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0285   -0.7643    0.9988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900   -0.4580   -0.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583   -1.9656   -0.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0145   -3.1401    2.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0939   -2.3949    0.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0591   -4.2827    2.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7070   -4.3385    0.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7640   -4.8016    1.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2445   -4.3604   -1.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4475   -4.1658   -0.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1756   -5.7597   -1.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7209   -6.8298    1.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1454   -6.5872    0.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691   -7.0228    0.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1001   -0.4757    1.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2124   -0.5010   -0.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9388   -2.5190   -1.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6873   -1.2926   -2.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0468   -3.2363   -1.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0597   -4.0421    0.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3369   -2.4073    0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5836   -3.1687   -0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9328   -2.1298   -2.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9102   -0.7027   -2.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8905   -1.1738   -0.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0187    2.2183   -2.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4318    1.9467   -1.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2061    4.3237   -1.6037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5948    3.9052   -2.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9757    4.7229    0.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1961    6.6580   -0.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9226    6.7005   -1.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7738    6.1897   -2.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1616    5.2545   -0.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8842    4.4266   -2.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9822    3.5078   -0.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1620    1.2749    1.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3031    3.3309   -0.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1542    4.9585    0.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5811    4.8276    0.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5447    3.8060    2.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207    5.2981    3.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5474    4.1028    5.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 17 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
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 27 29  1  0
 25 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 33 38  1  0
 38 39  2  0
 38 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  2  0
 44 46  1  0
 41 47  1  0
 47 48  2  0
 47 49  1  0
 49 12  1  0
  1 50  1  0
  1 51  1  0
  1 52  1  0
  2 53  1  0
  2 54  1  0
  3 55  1  1
  4 56  1  0
  4 57  1  0
  4 58  1  0
  5 59  1  0
  5 60  1  0
  6 61  1  0
  6 62  1  0
  7 63  1  0
  7 64  1  0
  8 65  1  0
  8 66  1  0
  9 67  1  0
  9 68  1  0
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 10 70  1  0
 11 71  1  0
 11 72  1  0
 12 73  1  1
 13 74  1  0
 13 75  1  0
 16 76  1  0
 17 77  1  6
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 24 87  1  0
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 28 93  1  0
 28 94  1  0
 29 95  1  0
 29 96  1  0
 29 97  1  0
 32 98  1  0
 33 99  1  6
 34100  1  0
 34101  1  0
 35102  1  1
 36103  1  0
 36104  1  0
 36105  1  0
 37106  1  0
 37107  1  0
 37108  1  0
 40109  1  0
 41110  1  6
 42111  1  0
 42112  1  0
 43113  1  0
 43114  1  0
 46115  1  0
M  END

HEADER    PROTEIN                                 04-JUL-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-JUL-21         0                                  
HETATM    1  C   UNK     0      10.994   0.830  -0.618  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.738   0.081  -1.006  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.907  -0.099   0.220  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.558   1.244   0.779  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.678  -0.958  -0.041  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.790  -0.364  -1.078  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.584  -1.211  -1.353  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.766  -1.376  -0.113  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.509  -2.219  -0.349  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.592  -1.618  -1.374  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.105  -0.251  -1.026  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.342  -0.198   0.259  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.096  -1.056   0.234  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.294  -1.451   1.624  0.00  0.00           C+0
HETATM   15  O   UNK     0       0.230  -0.817   2.575  0.00  0.00           O+0
HETATM   16  N   UNK     0      -1.201  -2.480   1.908  0.00  0.00           N+0
HETATM   17  C   UNK     0      -2.416  -2.643   1.082  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.830  -4.105   1.257  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.699  -4.964   0.773  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.363  -4.747  -0.669  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.036  -6.436   0.969  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.421  -1.739   1.674  0.00  0.00           C+0
HETATM   23  O   UNK     0      -3.432  -1.726   2.959  0.00  0.00           O+0
HETATM   24  N   UNK     0      -4.337  -0.919   0.989  0.00  0.00           N+0
HETATM   25  C   UNK     0      -4.337  -0.618  -0.428  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.749  -1.729  -1.316  0.00  0.00           C+0
HETATM   27  C   UNK     0      -6.064  -2.351  -1.210  0.00  0.00           C+0
HETATM   28  C   UNK     0      -6.465  -2.990   0.071  0.00  0.00           C+0
HETATM   29  C   UNK     0      -7.216  -1.515  -1.715  0.00  0.00           C+0
HETATM   30  C   UNK     0      -5.008   0.685  -0.708  0.00  0.00           C+0
HETATM   31  O   UNK     0      -6.175   0.814  -0.253  0.00  0.00           O+0
HETATM   32  N   UNK     0      -4.471   1.774  -1.423  0.00  0.00           N+0
HETATM   33  C   UNK     0      -3.170   2.401  -1.196  0.00  0.00           C+0
HETATM   34  C   UNK     0      -3.194   3.872  -1.522  0.00  0.00           C+0
HETATM   35  C   UNK     0      -4.146   4.694  -0.729  0.00  0.00           C+0
HETATM   36  C   UNK     0      -3.979   6.145  -1.225  0.00  0.00           C+0
HETATM   37  C   UNK     0      -5.600   4.378  -0.975  0.00  0.00           C+0
HETATM   38  C   UNK     0      -2.691   2.223   0.173  0.00  0.00           C+0
HETATM   39  O   UNK     0      -3.625   2.160   1.067  0.00  0.00           O+0
HETATM   40  N   UNK     0      -1.390   2.111   0.657  0.00  0.00           N+0
HETATM   41  C   UNK     0      -0.273   2.987   0.445  0.00  0.00           C+0
HETATM   42  C   UNK     0      -0.389   4.271   1.198  0.00  0.00           C+0
HETATM   43  C   UNK     0      -0.543   4.212   2.658  0.00  0.00           C+0
HETATM   44  C   UNK     0       0.465   3.596   3.486  0.00  0.00           C+0
HETATM   45  O   UNK     0       1.544   3.059   3.190  0.00  0.00           O+0
HETATM   46  O   UNK     0       0.197   3.593   4.884  0.00  0.00           O+0
HETATM   47  C   UNK     0       1.034   2.308   0.535  0.00  0.00           C+0
HETATM   48  O   UNK     0       2.017   3.119   0.275  0.00  0.00           O+0
HETATM   49  O   UNK     0       1.170   1.035   0.844  0.00  0.00           O+0
HETATM   50  H   UNK     0      11.242   0.720   0.461  0.00  0.00           H+0
HETATM   51  H   UNK     0      10.853   1.934  -0.767  0.00  0.00           H+0
HETATM   52  H   UNK     0      11.852   0.500  -1.219  0.00  0.00           H+0
HETATM   53  H   UNK     0      10.037  -0.929  -1.413  0.00  0.00           H+0
HETATM   54  H   UNK     0       9.216   0.647  -1.792  0.00  0.00           H+0
HETATM   55  H   UNK     0       9.521  -0.640   0.975  0.00  0.00           H+0
HETATM   56  H   UNK     0       8.527   2.043  -0.006  0.00  0.00           H+0
HETATM   57  H   UNK     0       7.620   1.235   1.381  0.00  0.00           H+0
HETATM   58  H   UNK     0       9.367   1.554   1.470  0.00  0.00           H+0
HETATM   59  H   UNK     0       7.134  -1.157   0.903  0.00  0.00           H+0
HETATM   60  H   UNK     0       8.056  -1.931  -0.410  0.00  0.00           H+0
HETATM   61  H   UNK     0       6.419   0.650  -0.816  0.00  0.00           H+0
HETATM   62  H   UNK     0       7.324  -0.249  -2.065  0.00  0.00           H+0
HETATM   63  H   UNK     0       5.904  -2.206  -1.733  0.00  0.00           H+0
HETATM   64  H   UNK     0       4.942  -0.696  -2.105  0.00  0.00           H+0
HETATM   65  H   UNK     0       4.476  -0.414   0.322  0.00  0.00           H+0
HETATM   66  H   UNK     0       5.368  -1.997   0.610  0.00  0.00           H+0
HETATM   67  H   UNK     0       3.074  -2.439   0.619  0.00  0.00           H+0
HETATM   68  H   UNK     0       3.913  -3.184  -0.780  0.00  0.00           H+0
HETATM   69  H   UNK     0       1.759  -2.319  -1.528  0.00  0.00           H+0
HETATM   70  H   UNK     0       3.157  -1.606  -2.357  0.00  0.00           H+0
HETATM   71  H   UNK     0       1.432   0.061  -1.881  0.00  0.00           H+0
HETATM   72  H   UNK     0       2.947   0.480  -1.009  0.00  0.00           H+0
HETATM   73  H   UNK     0       2.029  -0.764   0.999  0.00  0.00           H+0
HETATM   74  H   UNK     0      -0.690  -0.458  -0.278  0.00  0.00           H+0
HETATM   75  H   UNK     0       0.258  -1.966  -0.361  0.00  0.00           H+0
HETATM   76  H   UNK     0      -1.014  -3.140   2.717  0.00  0.00           H+0
HETATM   77  H   UNK     0      -2.094  -2.395   0.072  0.00  0.00           H+0
HETATM   78  H   UNK     0      -3.059  -4.283   2.304  0.00  0.00           H+0
HETATM   79  H   UNK     0      -3.707  -4.338   0.602  0.00  0.00           H+0
HETATM   80  H   UNK     0      -0.764  -4.802   1.368  0.00  0.00           H+0
HETATM   81  H   UNK     0      -2.244  -4.360  -1.253  0.00  0.00           H+0
HETATM   82  H   UNK     0      -0.448  -4.166  -0.859  0.00  0.00           H+0
HETATM   83  H   UNK     0      -1.176  -5.760  -1.131  0.00  0.00           H+0
HETATM   84  H   UNK     0      -1.721  -6.830   1.933  0.00  0.00           H+0
HETATM   85  H   UNK     0      -3.145  -6.587   0.889  0.00  0.00           H+0
HETATM   86  H   UNK     0      -1.569  -7.023   0.150  0.00  0.00           H+0
HETATM   87  H   UNK     0      -5.100  -0.476   1.589  0.00  0.00           H+0
HETATM   88  H   UNK     0      -3.212  -0.501  -0.632  0.00  0.00           H+0
HETATM   89  H   UNK     0      -3.939  -2.519  -1.377  0.00  0.00           H+0
HETATM   90  H   UNK     0      -4.687  -1.293  -2.370  0.00  0.00           H+0
HETATM   91  H   UNK     0      -6.047  -3.236  -1.948  0.00  0.00           H+0
HETATM   92  H   UNK     0      -6.060  -4.042   0.177  0.00  0.00           H+0
HETATM   93  H   UNK     0      -6.337  -2.407   0.982  0.00  0.00           H+0
HETATM   94  H   UNK     0      -7.584  -3.169  -0.004  0.00  0.00           H+0
HETATM   95  H   UNK     0      -7.933  -2.130  -2.342  0.00  0.00           H+0
HETATM   96  H   UNK     0      -6.910  -0.703  -2.388  0.00  0.00           H+0
HETATM   97  H   UNK     0      -7.891  -1.174  -0.873  0.00  0.00           H+0
HETATM   98  H   UNK     0      -5.019   2.218  -2.212  0.00  0.00           H+0
HETATM   99  H   UNK     0      -2.432   1.947  -1.916  0.00  0.00           H+0
HETATM  100  H   UNK     0      -2.206   4.324  -1.604  0.00  0.00           H+0
HETATM  101  H   UNK     0      -3.595   3.905  -2.592  0.00  0.00           H+0
HETATM  102  H   UNK     0      -3.976   4.723   0.342  0.00  0.00           H+0
HETATM  103  H   UNK     0      -3.196   6.658  -0.596  0.00  0.00           H+0
HETATM  104  H   UNK     0      -4.923   6.700  -1.040  0.00  0.00           H+0
HETATM  105  H   UNK     0      -3.774   6.190  -2.294  0.00  0.00           H+0
HETATM  106  H   UNK     0      -6.162   5.255  -0.522  0.00  0.00           H+0
HETATM  107  H   UNK     0      -5.884   4.427  -2.050  0.00  0.00           H+0
HETATM  108  H   UNK     0      -5.982   3.508  -0.434  0.00  0.00           H+0
HETATM  109  H   UNK     0      -1.162   1.275   1.292  0.00  0.00           H+0
HETATM  110  H   UNK     0      -0.303   3.331  -0.667  0.00  0.00           H+0
HETATM  111  H   UNK     0      -1.154   4.958   0.724  0.00  0.00           H+0
HETATM  112  H   UNK     0       0.581   4.828   0.995  0.00  0.00           H+0
HETATM  113  H   UNK     0      -1.545   3.806   2.982  0.00  0.00           H+0
HETATM  114  H   UNK     0      -0.621   5.298   3.011  0.00  0.00           H+0
HETATM  115  H   UNK     0      -0.547   4.103   5.300  0.00  0.00           H+0
CONECT    1    2   50   51   52                                             
CONECT    2    1    3   53   54                                             
CONECT    3    2    4    5   55                                             
CONECT    4    3   56   57   58                                             
CONECT    5    3    6   59   60                                             
CONECT    6    5    7   61   62                                             
CONECT    7    6    8   63   64                                             
CONECT    8    7    9   65   66                                             
CONECT    9    8   10   67   68                                             
CONECT   10    9   11   69   70                                             
CONECT   11   10   12   71   72                                             
CONECT   12   11   13   49   73                                             
CONECT   13   12   14   74   75                                             
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   76                                                  
CONECT   17   16   18   22   77                                             
CONECT   18   17   19   78   79                                             
CONECT   19   18   20   21   80                                             
CONECT   20   19   81   82   83                                             
CONECT   21   19   84   85   86                                             
CONECT   22   17   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   87                                                  
CONECT   25   24   26   30   88                                             
CONECT   26   25   27   89   90                                             
CONECT   27   26   28   29   91                                             
CONECT   28   27   92   93   94                                             
CONECT   29   27   95   96   97                                             
CONECT   30   25   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   98                                                  
CONECT   33   32   34   38   99                                             
CONECT   34   33   35  100  101                                             
CONECT   35   34   36   37  102                                             
CONECT   36   35  103  104  105                                             
CONECT   37   35  106  107  108                                             
CONECT   38   33   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41  109                                                  
CONECT   41   40   42   47  110                                             
CONECT   42   41   43  111  112                                             
CONECT   43   42   44  113  114                                             
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44  115                                                       
CONECT   47   41   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   12                                                       
CONECT   50    1                                                            
CONECT   51    1                                                            
CONECT   52    1                                                            
CONECT   53    2                                                            
CONECT   54    2                                                            
CONECT   55    3                                                            
CONECT   56    4                                                            
CONECT   57    4                                                            
CONECT   58    4                                                            
CONECT   59    5                                                            
CONECT   60    5                                                            
CONECT   61    6                                                            
CONECT   62    6                                                            
CONECT   63    7                                                            
CONECT   64    7                                                            
CONECT   65    8                                                            
CONECT   66    8                                                            
CONECT   67    9                                                            
CONECT   68    9                                                            
CONECT   69   10                                                            
CONECT   70   10                                                            
CONECT   71   11                                                            
CONECT   72   11                                                            
CONECT   73   12                                                            
CONECT   74   13                                                            
CONECT   75   13                                                            
CONECT   76   16                                                            
CONECT   77   17                                                            
CONECT   78   18                                                            
CONECT   79   18                                                            
CONECT   80   19                                                            
CONECT   81   20                                                            
CONECT   82   20                                                            
CONECT   83   20                                                            
CONECT   84   21                                                            
CONECT   85   21                                                            
CONECT   86   21                                                            
CONECT   87   24                                                            
CONECT   88   25                                                            
CONECT   89   26                                                            
CONECT   90   26                                                            
CONECT   91   27                                                            
CONECT   92   28                                                            
CONECT   93   28                                                            
CONECT   94   28                                                            
CONECT   95   29                                                            
CONECT   96   29                                                            
CONECT   97   29                                                            
CONECT   98   32                                                            
CONECT   99   33                                                            
CONECT  100   34                                                            
CONECT  101   34                                                            
CONECT  102   35                                                            
CONECT  103   36                                                            
CONECT  104   36                                                            
CONECT  105   36                                                            
CONECT  106   37                                                            
CONECT  107   37                                                            
CONECT  108   37                                                            
CONECT  109   40                                                            
CONECT  110   41                                                            
CONECT  111   42                                                            
CONECT  112   42                                                            
CONECT  113   43                                                            
CONECT  114   43                                                            
CONECT  115   46                                                            
MASTER        0    0    0    0    0    0    0    0  115    0  230    0
END

RDKit          3D

115115  0  0  0  0  0  0  0  0999 V2000
   10.9942    0.8301   -0.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
3-[(3S,6S,9S,12S,16R)-5,8,11,14-Tetrahydroxy-16-(8-methyldecyl)-6,9,12-tris(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-3-yl]propanoate	Generator

Chemical Formula

C₃₇H₆₆N₄O₈

Average Mass

694.9550 Da

Monoisotopic Mass

694.48807 Da

IUPAC Name

3-[(3S,6S,9S,12S,16R)-16-[(8R)-8-methyldecyl]-6,9,12-tris(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-3-yl]propanoic acid

Traditional Name

3-[(3S,6S,9S,12S,16R)-16-[(8R)-8-methyldecyl]-6,9,12-tris(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-3-yl]propanoic acid

CAS Registry Number

Not Available

SMILES

CCC(C)CCCCCCC[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)O1

InChI Identifier

InChI=1S/C37H66N4O8/c1-9-26(8)15-13-11-10-12-14-16-27-22-32(42)38-29(19-23(2)3)34(45)40-31(21-25(6)7)36(47)41-30(20-24(4)5)35(46)39-28(37(48)49-27)17-18-33(43)44/h23-31H,9-22H2,1-8H3,(H,38,42)(H,39,46)(H,40,45)(H,41,47)(H,43,44)/t26?,27-,28+,29+,30+,31+/m1/s1

InChI Key

UBOCYUXOELCZII-REVKYEQOSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Bacillus	NPAtlas	29115831

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	3.83	ALOGPS
logP	5.91	ChemAxon
logS	-5.1	ALOGPS
pKa (Strongest Acidic)	3.89	ChemAxon
pKa (Strongest Basic)	-1.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	180 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	186.85 m³·mol⁻¹	ChemAxon
Polarizability	78.99 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

NPAtlas ID

NPA022488

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

62765038

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139589832

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Bacilotetrin A (NP0017211)

MOL for NP0017211 (Bacilotetrin A)

3D MOL for NP0017211 (Bacilotetrin A)

3D SDF for NP0017211 (Bacilotetrin A)

3D-SDF for NP0017211 (Bacilotetrin A)

PDB for NP0017211 (Bacilotetrin A)

3D PDB for NP0017211 (Bacilotetrin A)

SMILES for NP0017211 (Bacilotetrin A)

INCHI for NP0017211 (Bacilotetrin A)

Structure for NP0017211 (Bacilotetrin A)

3D Structure for NP0017211 (Bacilotetrin A)