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CHEBI:206501 - Octaminomycin A

ChEBI IDCHEBI:206501
ChEBI NameOctaminomycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC53H76N8O11
Net Charge0
Average Mass1001.236
Monoisotopic Mass1000.56336
SMILESCCC(=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/C53H76N8O11/c1-10-43(63)57-45-33(8)72-53(71)41-19-15-25-61(41)51(69)42(29-35-20-22-36(62)23-21-35)59(9)50(68)39(27-31(4)5)56-48(66)40-18-14-24-60(40)52(70)44(32(6)7)58-47(65)37(26-30(2)3)54-46(64)38(55-49(45)67)28-34-16-12-11-13-17-34/h11-13,16-17,20-23,30-33,37-42,44-45,62H,10,14-15,18-19,24-29H2,1-9H3,(H,54,64)(H,55,67)(H,56,66)(H,57,63)(H,58,65)/t33-,37-,38+,39+,40+,41+,42+,44+,45+/m1/s1
InChIKeyCXOYNCFULZDUCZ-PZZQEIOHSA-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 A (CHEBI:206501) 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]propanamide
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