NP-MRD: Showing NP-Card for Kerriamycin B (NP0021280)

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Record Information

Version

2.0

Created at

2021-01-06 06:32:42 UTC

Updated at

2021-07-15 17:35:56 UTC

NP-MRD ID

NP0021280

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Kerriamycin B

Provided By

NPAtlas

Description

Urdamycin A is also known as kerriamycin b. Urdamycin A is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Kerriamycin B is found in Streptomyces fradiae, Streptomyces griseus and Streptomyces violaceolatus. Kerriamycin B was first documented in 1989 (PMID: 2925521). Based on a literature review a small amount of articles have been published on Urdamycin A (PMID: 10658661) (PMID: 12512084) (PMID: 7592377).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652307042107583D          

116123  0  0  0  0            999 V2000
   -5.9235   -1.9865   -3.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5380   -0.6460   -4.2724 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.3795    0.2843   -3.2899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9482    0.0428   -2.0738 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.2657    1.1677   -1.3857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9763    1.2581   -0.0845 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.6772    0.0579    0.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0906   -0.9972    0.6603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0149    0.1735    1.1974 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.8859    1.2736    0.7083 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.7471    1.7128    1.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7479    0.8402   -0.2758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1180    2.4862    0.2379 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.6733    2.4009    0.6261 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.0370    3.5977    0.2965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5946    2.1329    2.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5812    1.5059    2.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000    1.0518    1.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5695    1.2353    0.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4127    1.1580   -0.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4547    1.3603   -1.6889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1085    0.8260    0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0027    0.7407   -0.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7494    0.4234   -0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6227    0.1952    1.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6657   -0.1407    1.8672 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7949   -0.2430    0.8696 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9697   -0.8182    1.6395 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1917   -0.2874    1.2465 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9850   -1.2013    0.6050 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4732   -0.7787   -0.7332 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4139    0.4189   -0.5033 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5722   -0.0308    0.3409 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5281   -0.7538   -0.2805 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8216   -0.2921   -0.2757 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8070   -1.2934    0.2480 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2404   -2.1919   -0.8913 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2103   -2.5982   -1.7025 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1483   -1.3002   -1.7535 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3531   -1.2047   -1.0692 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5454    0.0969   -1.8047 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7575    0.6219   -3.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1727    0.0466   -1.5770 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0127   -0.6339    1.6079 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0526   -1.1415    2.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -1.5830    1.4266 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7938   -0.6981    3.1228 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3449   -1.8747    3.7086 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9859    0.4747    3.5638 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8797    1.6948    3.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997    0.9025    2.7250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7454    0.2879    2.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6989    0.0709    3.4063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9965    0.6016    1.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2018    0.7142    2.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208    0.5133    3.5740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2112   -0.8430   -2.2942 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.9142   -0.4480   -3.5698 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.9927   -0.7707   -4.7281 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.1903   -2.0425   -5.2101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5830   -2.8424   -4.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5522   -1.9212   -2.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9925   -2.1929   -4.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9821   -0.2725   -5.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3129   -0.6302   -1.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5494   -0.7898    0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0201    0.0707    2.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8297    1.4501    1.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7078    2.8121    2.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4546    1.2294    2.8291 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2963    1.6203   -0.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5385    3.4188    0.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1988    2.6318   -0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0591    3.4762    0.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4277    2.4836    2.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1223    0.3615   -0.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862   -1.1143    2.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1269   -1.5739   -1.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6680   -0.5029   -1.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8090    1.1922   -0.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250    0.7808   -1.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0771    0.9165    0.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9514    0.6503    0.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7211   -0.7427    0.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4552   -1.8748    1.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7544   -3.0590   -0.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2788   -2.2670   -2.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3348   -1.7042   -2.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6431   -2.0627   -0.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9975    0.7585   -1.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7932    0.5854   -3.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4749    1.7149   -3.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0385    0.1569   -3.9278 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4953    0.2206    2.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7360   -1.0225    3.6332 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6986   -2.6596    3.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5025    0.2562    4.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.8738   -0.6894   -1.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.1592    0.0233   -5.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6262   -2.6039   -4.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
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M  END

     RDKit          3D

116123  0  0  0  0  0  0  0  0999 V2000
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   -6.5380   -0.6460   -4.2724 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.3795    0.2843   -3.2899 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0906   -0.9972    0.6603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0149    0.1735    1.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8859    1.2736    0.7083 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.7471    1.7128    1.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5000    1.0518    1.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5695    1.2353    0.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4127    1.1580   -0.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4547    1.3603   -1.6889 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652307042107583D          

116123  0  0  0  0            999 V2000
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M  END
> <DATABASE_ID>
NP0021280

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C2C(=O)C3=C(C(=O)C2=C([H])C([H])=C1[C@]1([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]4([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])C4([H])[H])C([H])([H])C2([H])[H])C1([H])[H])[C@@]1(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C2([H])[H])C(=O)C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])[C@@]1(O[H])C([H])=C3[H]

> <INCHI_IDENTIFIER>
InChI=1S/C43H56O17/c1-18-25(44)8-10-32(55-18)60-43-30(46)16-41(5,52)17-42(43,53)13-12-24-35(43)40(51)23-7-6-22(38(49)34(23)39(24)50)28-15-29(37(48)21(4)54-28)59-31-11-9-27(19(2)56-31)58-33-14-26(45)36(47)20(3)57-33/h6-7,12-13,18-21,25-29,31-33,36-37,44-45,47-49,52-53H,8-11,14-17H2,1-5H3/t18-,19-,20+,21+,25-,26+,27-,28+,29+,31-,32-,33-,36+,37+,41-,42-,43-/m0/s1

> <INCHI_KEY>
FJSYXNOFZQFOAN-FXPMUEKOSA-N

> <FORMULA>
C43H56O17

> <MOLECULAR_WEIGHT>
844.904

> <EXACT_MASS>
844.351750343

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_ATOM_COUNT>
116

> <JCHEM_AVERAGE_POLARIZABILITY>
84.72269149593599

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R,4aR,12bS)-9-[(2R,4R,5R,6R)-4-{[(2S,5S,6S)-5-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]-3,4a,8-trihydroxy-12b-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-3-methyl-1,2,3,4,4a,7,12,12b-octahydrotetraphene-1,7,12-trione

> <ALOGPS_LOGP>
1.29

> <JCHEM_LOGP>
1.0809305069999973

> <ALOGPS_LOGS>
-3.44

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.561132890925439

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.789866861488004

> <JCHEM_PKA_STRONGEST_BASIC>
-2.904569079875537

> <JCHEM_POLAR_SURFACE_AREA>
257.42999999999995

> <JCHEM_REFRACTIVITY>
208.25560000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.05e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
urdamycin A

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

116123  0  0  0  0  0  0  0  0999 V2000
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    2.8797    1.6948    3.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.5494   -0.7898    0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0201    0.0707    2.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8297    1.4501    1.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7078    2.8121    2.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4546    1.2294    2.8291 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2963    1.6203   -0.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5385    3.4188    0.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1988    2.6318   -0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0591    3.4762    0.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4277    2.4836    2.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4902    1.3089    3.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0445    0.9101   -1.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1223    0.3615   -0.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862   -1.1143    2.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1050    0.7070    0.4311 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4581   -0.9115    0.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9711   -1.8917    1.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3895   -2.1519    0.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1269   -1.5739   -1.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6680   -0.5029   -1.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8090    1.1922   -0.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250    0.7808   -1.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0771    0.9165    0.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9514    0.6503    0.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7211   -0.7427    0.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4552   -1.8748    1.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7544   -3.0590   -0.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2788   -2.2670   -2.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3348   -1.7042   -2.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6431   -2.0627   -0.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9975    0.7585   -1.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7932    0.5854   -3.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4749    1.7149   -3.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0385    0.1569   -3.9278 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4953    0.2206    2.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7360   -1.0225    3.6332 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2647   -2.2380    2.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0038   -0.5498    2.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242   -0.5266    3.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6986   -2.6596    3.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5025    0.2562    4.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8559    1.5577    3.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4469    2.6260    3.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0396    1.8673    4.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8138   -0.1659    3.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8744   -1.8956   -2.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8738   -0.6894   -1.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8133   -1.0940   -3.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2274    0.5943   -3.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1592    0.0233   -5.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6262   -2.6039   -4.5015 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
  4  5  1  0
  6  5  1  6
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  6
 10 13  1  0
 13 14  1  0
 14 15  1  1
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
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 29 30  1  0
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 35 36  1  0
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 37 38  1  0
 37 39  1  0
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 39 41  1  0
 41 42  1  0
 41 43  1  0
 33 44  1  0
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 28 47  1  0
 47 48  1  0
 47 49  1  0
 49 50  1  0
 49 51  1  0
 25 52  1  0
 52 53  1  0
 52 54  2  0
 54 55  1  0
 55 56  2  0
  4 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  1  0
 59  2  1  0
 14  6  1  0
 55 18  1  0
 19  6  1  0
 54 22  1  0
 51 26  1  0
 46 30  1  0
 43 35  1  0
  1 61  1  0
  1 62  1  0
  1 63  1  0
  2 64  1  6
  4 65  1  1
  9 66  1  0
  9 67  1  0
 11 68  1  0
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 42 98  1  0
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 44100  1  1
 45101  1  0
 45102  1  0
 45103  1  0
 47104  1  1
 48105  1  0
 49106  1  1
 50107  1  0
 50108  1  0
 50109  1  0
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 58114  1  0
 59115  1  6
 60116  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      -5.923  -1.986  -3.944  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.538  -0.646  -4.272  0.00  0.00           C+0
HETATM    3  O   UNK     0      -6.380   0.284  -3.290  0.00  0.00           O+0
HETATM    4  C   UNK     0      -6.948   0.043  -2.074  0.00  0.00           C+0
HETATM    5  O   UNK     0      -7.266   1.168  -1.386  0.00  0.00           O+0
HETATM    6  C   UNK     0      -6.976   1.258  -0.085  0.00  0.00           C+0
HETATM    7  C   UNK     0      -7.677   0.058   0.610  0.00  0.00           C+0
HETATM    8  O   UNK     0      -7.091  -0.997   0.660  0.00  0.00           O+0
HETATM    9  C   UNK     0      -9.015   0.174   1.197  0.00  0.00           C+0
HETATM   10  C   UNK     0      -9.886   1.274   0.708  0.00  0.00           C+0
HETATM   11  C   UNK     0     -10.747   1.713   1.896  0.00  0.00           C+0
HETATM   12  O   UNK     0     -10.748   0.840  -0.276  0.00  0.00           O+0
HETATM   13  C   UNK     0      -9.118   2.486   0.238  0.00  0.00           C+0
HETATM   14  C   UNK     0      -7.673   2.401   0.626  0.00  0.00           C+0
HETATM   15  O   UNK     0      -7.037   3.598   0.297  0.00  0.00           O+0
HETATM   16  C   UNK     0      -7.595   2.133   2.084  0.00  0.00           C+0
HETATM   17  C   UNK     0      -6.581   1.506   2.653  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.500   1.052   1.730  0.00  0.00           C+0
HETATM   19  C   UNK     0      -5.569   1.235   0.416  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.413   1.158  -0.453  0.00  0.00           C+0
HETATM   21  O   UNK     0      -4.455   1.360  -1.689  0.00  0.00           O+0
HETATM   22  C   UNK     0      -3.108   0.826   0.175  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.003   0.741  -0.641  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.749   0.423  -0.107  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.623   0.195   1.244  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.666  -0.141   1.867  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.795  -0.243   0.870  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.970  -0.818   1.640  0.00  0.00           C+0
HETATM   29  O   UNK     0       4.192  -0.287   1.246  0.00  0.00           O+0
HETATM   30  C   UNK     0       4.985  -1.201   0.605  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.473  -0.779  -0.733  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.414   0.419  -0.503  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.572  -0.031   0.341  0.00  0.00           C+0
HETATM   34  O   UNK     0       8.528  -0.754  -0.281  0.00  0.00           O+0
HETATM   35  C   UNK     0       9.822  -0.292  -0.276  0.00  0.00           C+0
HETATM   36  C   UNK     0      10.807  -1.293   0.248  0.00  0.00           C+0
HETATM   37  C   UNK     0      11.240  -2.192  -0.891  0.00  0.00           C+0
HETATM   38  O   UNK     0      10.210  -2.598  -1.702  0.00  0.00           O+0
HETATM   39  C   UNK     0      12.148  -1.300  -1.754  0.00  0.00           C+0
HETATM   40  O   UNK     0      13.353  -1.205  -1.069  0.00  0.00           O+0
HETATM   41  C   UNK     0      11.545   0.097  -1.805  0.00  0.00           C+0
HETATM   42  C   UNK     0      11.758   0.622  -3.206  0.00  0.00           C+0
HETATM   43  O   UNK     0      10.173   0.047  -1.577  0.00  0.00           O+0
HETATM   44  C   UNK     0       7.013  -0.634   1.608  0.00  0.00           C+0
HETATM   45  C   UNK     0       8.053  -1.141   2.554  0.00  0.00           C+0
HETATM   46  O   UNK     0       6.050  -1.583   1.427  0.00  0.00           O+0
HETATM   47  C   UNK     0       2.794  -0.698   3.123  0.00  0.00           C+0
HETATM   48  O   UNK     0       2.345  -1.875   3.709  0.00  0.00           O+0
HETATM   49  C   UNK     0       1.986   0.475   3.564  0.00  0.00           C+0
HETATM   50  C   UNK     0       2.880   1.695   3.840  0.00  0.00           C+0
HETATM   51  O   UNK     0       1.000   0.903   2.725  0.00  0.00           O+0
HETATM   52  C   UNK     0      -1.745   0.288   2.037  0.00  0.00           C+0
HETATM   53  O   UNK     0      -1.699   0.071   3.406  0.00  0.00           O+0
HETATM   54  C   UNK     0      -2.997   0.602   1.528  0.00  0.00           C+0
HETATM   55  C   UNK     0      -4.202   0.714   2.327  0.00  0.00           C+0
HETATM   56  O   UNK     0      -4.121   0.513   3.574  0.00  0.00           O+0
HETATM   57  C   UNK     0      -8.211  -0.843  -2.294  0.00  0.00           C+0
HETATM   58  C   UNK     0      -8.914  -0.448  -3.570  0.00  0.00           C+0
HETATM   59  C   UNK     0      -7.993  -0.771  -4.728  0.00  0.00           C+0
HETATM   60  O   UNK     0      -8.190  -2.042  -5.210  0.00  0.00           O+0
HETATM   61  H   UNK     0      -6.583  -2.842  -4.127  0.00  0.00           H+0
HETATM   62  H   UNK     0      -5.552  -1.921  -2.897  0.00  0.00           H+0
HETATM   63  H   UNK     0      -4.992  -2.193  -4.552  0.00  0.00           H+0
HETATM   64  H   UNK     0      -5.982  -0.273  -5.169  0.00  0.00           H+0
HETATM   65  H   UNK     0      -6.313  -0.630  -1.474  0.00  0.00           H+0
HETATM   66  H   UNK     0      -9.549  -0.790   0.881  0.00  0.00           H+0
HETATM   67  H   UNK     0      -9.020   0.071   2.310  0.00  0.00           H+0
HETATM   68  H   UNK     0     -11.830   1.450   1.726  0.00  0.00           H+0
HETATM   69  H   UNK     0     -10.708   2.812   2.030  0.00  0.00           H+0
HETATM   70  H   UNK     0     -10.455   1.229   2.829  0.00  0.00           H+0
HETATM   71  H   UNK     0     -11.296   1.620  -0.570  0.00  0.00           H+0
HETATM   72  H   UNK     0      -9.539   3.419   0.695  0.00  0.00           H+0
HETATM   73  H   UNK     0      -9.199   2.632  -0.853  0.00  0.00           H+0
HETATM   74  H   UNK     0      -6.059   3.476   0.419  0.00  0.00           H+0
HETATM   75  H   UNK     0      -8.428   2.484   2.696  0.00  0.00           H+0
HETATM   76  H   UNK     0      -6.490   1.309   3.701  0.00  0.00           H+0
HETATM   77  H   UNK     0      -2.045   0.910  -1.707  0.00  0.00           H+0
HETATM   78  H   UNK     0       0.122   0.362  -0.768  0.00  0.00           H+0
HETATM   79  H   UNK     0       0.586  -1.114   2.386  0.00  0.00           H+0
HETATM   80  H   UNK     0       2.105   0.707   0.431  0.00  0.00           H+0
HETATM   81  H   UNK     0       1.458  -0.912   0.051  0.00  0.00           H+0
HETATM   82  H   UNK     0       2.971  -1.892   1.372  0.00  0.00           H+0
HETATM   83  H   UNK     0       4.389  -2.152   0.490  0.00  0.00           H+0
HETATM   84  H   UNK     0       6.127  -1.574  -1.142  0.00  0.00           H+0
HETATM   85  H   UNK     0       4.668  -0.503  -1.440  0.00  0.00           H+0
HETATM   86  H   UNK     0       5.809   1.192  -0.026  0.00  0.00           H+0
HETATM   87  H   UNK     0       6.725   0.781  -1.504  0.00  0.00           H+0
HETATM   88  H   UNK     0       8.077   0.917   0.706  0.00  0.00           H+0
HETATM   89  H   UNK     0       9.951   0.650   0.299  0.00  0.00           H+0
HETATM   90  H   UNK     0      11.721  -0.743   0.606  0.00  0.00           H+0
HETATM   91  H   UNK     0      10.455  -1.875   1.123  0.00  0.00           H+0
HETATM   92  H   UNK     0      11.754  -3.059  -0.481  0.00  0.00           H+0
HETATM   93  H   UNK     0      10.279  -2.267  -2.632  0.00  0.00           H+0
HETATM   94  H   UNK     0      12.335  -1.704  -2.745  0.00  0.00           H+0
HETATM   95  H   UNK     0      13.643  -2.063  -0.669  0.00  0.00           H+0
HETATM   96  H   UNK     0      11.998   0.759  -1.070  0.00  0.00           H+0
HETATM   97  H   UNK     0      12.793   0.585  -3.550  0.00  0.00           H+0
HETATM   98  H   UNK     0      11.475   1.715  -3.189  0.00  0.00           H+0
HETATM   99  H   UNK     0      11.039   0.157  -3.928  0.00  0.00           H+0
HETATM  100  H   UNK     0       6.495   0.221   2.145  0.00  0.00           H+0
HETATM  101  H   UNK     0       7.736  -1.022   3.633  0.00  0.00           H+0
HETATM  102  H   UNK     0       8.265  -2.238   2.445  0.00  0.00           H+0
HETATM  103  H   UNK     0       9.004  -0.550   2.493  0.00  0.00           H+0
HETATM  104  H   UNK     0       3.824  -0.527   3.561  0.00  0.00           H+0
HETATM  105  H   UNK     0       2.699  -2.660   3.226  0.00  0.00           H+0
HETATM  106  H   UNK     0       1.502   0.256   4.557  0.00  0.00           H+0
HETATM  107  H   UNK     0       3.856   1.558   3.359  0.00  0.00           H+0
HETATM  108  H   UNK     0       2.447   2.626   3.430  0.00  0.00           H+0
HETATM  109  H   UNK     0       3.040   1.867   4.909  0.00  0.00           H+0
HETATM  110  H   UNK     0      -0.814  -0.166   3.820  0.00  0.00           H+0
HETATM  111  H   UNK     0      -7.874  -1.896  -2.308  0.00  0.00           H+0
HETATM  112  H   UNK     0      -8.874  -0.689  -1.466  0.00  0.00           H+0
HETATM  113  H   UNK     0      -9.813  -1.094  -3.640  0.00  0.00           H+0
HETATM  114  H   UNK     0      -9.227   0.594  -3.525  0.00  0.00           H+0
HETATM  115  H   UNK     0      -8.159   0.023  -5.481  0.00  0.00           H+0
HETATM  116  H   UNK     0      -8.626  -2.604  -4.502  0.00  0.00           H+0
CONECT    1    2   61   62   63                                             
CONECT    2    1    3   59   64                                             
CONECT    3    2    4                                                       
CONECT    4    3    5   57   65                                             
CONECT    5    4    6                                                       
CONECT    6    5    7   14   19                                             
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   66   67                                             
CONECT   10    9   11   12   13                                             
CONECT   11   10   68   69   70                                             
CONECT   12   10   71                                                       
CONECT   13   10   14   72   73                                             
CONECT   14   13   15   16    6                                             
CONECT   15   14   74                                                       
CONECT   16   14   17   75                                                  
CONECT   17   16   18   76                                                  
CONECT   18   17   19   55                                                  
CONECT   19   18   20    6                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   54                                                  
CONECT   23   22   24   77                                                  
CONECT   24   23   25   78                                                  
CONECT   25   24   26   52                                                  
CONECT   26   25   27   51   79                                             
CONECT   27   26   28   80   81                                             
CONECT   28   27   29   47   82                                             
CONECT   29   28   30                                                       
CONECT   30   29   31   46   83                                             
CONECT   31   30   32   84   85                                             
CONECT   32   31   33   86   87                                             
CONECT   33   32   34   44   88                                             
CONECT   34   33   35                                                       
CONECT   35   34   36   43   89                                             
CONECT   36   35   37   90   91                                             
CONECT   37   36   38   39   92                                             
CONECT   38   37   93                                                       
CONECT   39   37   40   41   94                                             
CONECT   40   39   95                                                       
CONECT   41   39   42   43   96                                             
CONECT   42   41   97   98   99                                             
CONECT   43   41   35                                                       
CONECT   44   33   45   46  100                                             
CONECT   45   44  101  102  103                                             
CONECT   46   44   30                                                       
CONECT   47   28   48   49  104                                             
CONECT   48   47  105                                                       
CONECT   49   47   50   51  106                                             
CONECT   50   49  107  108  109                                             
CONECT   51   49   26                                                       
CONECT   52   25   53   54                                                  
CONECT   53   52  110                                                       
CONECT   54   52   55   22                                                  
CONECT   55   54   56   18                                                  
CONECT   56   55                                                            
CONECT   57    4   58  111  112                                             
CONECT   58   57   59  113  114                                             
CONECT   59   58   60    2  115                                             
CONECT   60   59  116                                                       
CONECT   61    1                                                            
CONECT   62    1                                                            
CONECT   63    1                                                            
CONECT   64    2                                                            
CONECT   65    4                                                            
CONECT   66    9                                                            
CONECT   67    9                                                            
CONECT   68   11                                                            
CONECT   69   11                                                            
CONECT   70   11                                                            
CONECT   71   12                                                            
CONECT   72   13                                                            
CONECT   73   13                                                            
CONECT   74   15                                                            
CONECT   75   16                                                            
CONECT   76   17                                                            
CONECT   77   23                                                            
CONECT   78   24                                                            
CONECT   79   26                                                            
CONECT   80   27                                                            
CONECT   81   27                                                            
CONECT   82   28                                                            
CONECT   83   30                                                            
CONECT   84   31                                                            
CONECT   85   31                                                            
CONECT   86   32                                                            
CONECT   87   32                                                            
CONECT   88   33                                                            
CONECT   89   35                                                            
CONECT   90   36                                                            
CONECT   91   36                                                            
CONECT   92   37                                                            
CONECT   93   38                                                            
CONECT   94   39                                                            
CONECT   95   40                                                            
CONECT   96   41                                                            
CONECT   97   42                                                            
CONECT   98   42                                                            
CONECT   99   42                                                            
CONECT  100   44                                                            
CONECT  101   45                                                            
CONECT  102   45                                                            
CONECT  103   45                                                            
CONECT  104   47                                                            
CONECT  105   48                                                            
CONECT  106   49                                                            
CONECT  107   50                                                            
CONECT  108   50                                                            
CONECT  109   50                                                            
CONECT  110   53                                                            
CONECT  111   57                                                            
CONECT  112   57                                                            
CONECT  113   58                                                            
CONECT  114   58                                                            
CONECT  115   59                                                            
CONECT  116   60                                                            
MASTER        0    0    0    0    0    0    0    0  116    0  246    0
END

RDKit          3D

116123  0  0  0  0  0  0  0  0999 V2000
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 59115  1  6
 60116  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
Kerriamycin b	ChEBI

Chemical Formula

C₄₃H₅₆O₁₇

Average Mass

844.9040 Da

Monoisotopic Mass

844.35175 Da

IUPAC Name

(3R,4aR,12bS)-9-[(2R,4R,5R,6R)-4-{[(2S,5S,6S)-5-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]-3,4a,8-trihydroxy-12b-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-3-methyl-1,2,3,4,4a,7,12,12b-octahydrotetraphene-1,7,12-trione

Traditional Name

urdamycin A

CAS Registry Number

Not Available

SMILES

C[C@@H]1O[C@H](CC[C@@H]1O)O[C@]12C(=O)C[C@](C)(O)C[C@@]1(O)C=CC1=C2C(=O)C2=C(C(O)=C(C=C2)[C@H]2C[C@@H](O[C@H]3CC[C@H](O[C@H]4C[C@@H](O)[C@H](O)[C@@H](C)O4)[C@H](C)O3)[C@H](O)[C@@H](C)O2)C1=O

InChI Identifier

InChI=1S/C43H56O17/c1-18-25(44)8-10-32(55-18)60-43-30(46)16-41(5,52)17-42(43,53)13-12-24-35(43)40(51)23-7-6-22(38(49)34(23)39(24)50)28-15-29(37(48)21(4)54-28)59-31-11-9-27(19(2)56-31)58-33-14-26(45)36(47)20(3)57-33/h6-7,12-13,18-21,25-29,31-33,36-37,44-45,47-49,52-53H,8-11,14-17H2,1-5H3/t18-,19-,20+,21+,25-,26+,27-,28+,29+,31-,32-,33-,36+,37+,41-,42-,43-/m0/s1

InChI Key

FJSYXNOFZQFOAN-FXPMUEKOSA-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
Streptomyces fradiae	LOTUS Database	35616633
Streptomyces griseus	LOTUS Database	35616633
Streptomyces violaceolatus	NPAtlas	3839784

Species Where Detected

Species Name	Source	Reference
Streptomyces fradiae T-2717	KNApSAcK Database	22123792

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	1.29	ALOGPS
logP	1.08	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	7.79	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	257.43 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	208.26 m³·mol⁻¹	ChemAxon
Polarizability	84.72 Å³	ChemAxon
Number of Rings	8	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

NPAtlas ID

NPA007677

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00017825

Chemspider ID

391916

KEGG Compound ID

C12413

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

443819

PDB ID

Not Available

ChEBI ID

32279

Good Scents ID

Not Available

References

General References

Faust B, Hoffmeister D, Weitnauer G, Westrich L, Haag S, Schneider P, Decker H, Kunzel E, Rohr J, Bechthold A: Two new tailoring enzymes, a glycosyltransferase and an oxygenase, involved in biosynthesis of the angucycline antibiotic urdamycin A in Streptomyces fradiae Tu2717. Microbiology (Reading). 2000 Jan;146 ( Pt 1):147-154. doi: 10.1099/00221287-146-1-147. [PubMed:10658661 ]
Rix U, Remsing LL, Hoffmeister D, Bechthold A, Rohr J: Urdamycin L: a novel metabolic shunt product that provides evidence for the role of the urdM gene in the urdamycin A biosynthetic pathway of Streptomyces fradiae TU 2717. Chembiochem. 2003 Jan 3;4(1):109-11. doi: 10.1002/cbic.200390002. [PubMed:12512084 ]
Henkel T, Ciesiolka T, Rohr J, Zeeck A: Urdamycins, new angucycline antibiotics from Streptomyces fradiae. V. Derivatives of urdamycin A. J Antibiot (Tokyo). 1989 Feb;42(2):299-311. doi: 10.7164/antibiotics.42.299. [PubMed:2925521 ]
Decker H, Haag S: Cloning and characterization of a polyketide synthase gene from Streptomyces fradiae Tu2717, which carries the genes for biosynthesis of the angucycline antibiotic urdamycin A and a gene probably involved in its oxygenation. J Bacteriol. 1995 Nov;177(21):6126-36. doi: 10.1128/jb.177.21.6126-6136.1995. [PubMed:7592377 ]

Showing NP-Card for Kerriamycin B (NP0021280)

MOL for NP0021280 (Kerriamycin B)

3D MOL for NP0021280 (Kerriamycin B)

3D SDF for NP0021280 (Kerriamycin B)

3D-SDF for NP0021280 (Kerriamycin B)

PDB for NP0021280 (Kerriamycin B)

3D PDB for NP0021280 (Kerriamycin B)

SMILES for NP0021280 (Kerriamycin B)

INCHI for NP0021280 (Kerriamycin B)

Structure for NP0021280 (Kerriamycin B)

3D Structure for NP0021280 (Kerriamycin B)