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CHEBI:206511 - Octaminomycin B

ChEBI IDCHEBI:206511
ChEBI NameOctaminomycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC52H74N8O11
Net Charge0
Average Mass987.209
Monoisotopic Mass986.54771
SMILESCC(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)O[C@@H]1C
InChIInChI=1S/C52H74N8O11/c1-29(2)25-37-46(64)57-43(31(5)6)51(69)59-23-13-17-40(59)47(65)56-39(26-30(3)4)49(67)58(9)42(28-35-19-21-36(62)22-20-35)50(68)60-24-14-18-41(60)52(70)71-32(7)44(53-33(8)61)48(66)55-38(45(63)54-37)27-34-15-11-10-12-16-34/h10-12,15-16,19-22,29-32,37-44,62H,13-14,17-18,23-28H2,1-9H3,(H,53,61)(H,54,63)(H,55,66)(H,56,65)(H,57,64)/t32-,37-,38+,39+,40+,41+,42+,43+,44+/m1/s1
InChIKeyQNCHOWGBHYLWIC-QKHVFFOHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28055207)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Octaminomycin B (CHEBI:206511) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3S,6S,9S,15S,18R,21S,24S,25R,28S)-21-benzyl-3-[(4-hydroxyphenyl)methyl]-4,25-dimethyl-6,18-bis(2-methylpropyl)-2,5,8,14,17,20,23,27-octaoxo-15-propan-2-yl-26-oxa-1,4,7,13,16,19,22-heptazatricyclo[26.3.0.09,13]hentriacontan-24-yl]acetamide
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