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CHEBI:200467 - Cochinmicin I

ChEBI IDCHEBI:200467
ChEBI NameCochinmicin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H47N7O12
Net Charge0
Average Mass889.919
Monoisotopic Mass889.32827
SMILESC[C@H]1NC(=O)C(Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccn2)[C@@H](C)OC(=O)[C@@H](c2cc(O)cc(O)c2)NC(=O)[C@@H](c2cc(O)cc(O)c2)NC1=O
InChIInChI=1S/C46H47N7O12/c1-24-40(58)52-38(28-18-30(54)22-31(55)19-28)45(63)53-39(29-20-32(56)23-33(57)21-29)46(64)65-25(2)37(44(62)50-35(42(60)48-24)16-26-10-5-3-6-11-26)51-43(61)36(17-27-12-7-4-8-13-27)49-41(59)34-14-9-15-47-34/h3-15,18-25,35-39,47,54-57H,16-17H2,1-2H3,(H,48,60)(H,49,59)(H,50,62)(H,51,61)(H,52,58)(H,53,63)/t24-,25-,35?,36+,37-,38-,39-/m1/s1
InChIKeyBAIAJPQVHAPGNS-RFKZDBQOSA-N
Species of MetaboliteComponentSourceComments
Microbisporaspecies (ncbitaxon:1898321) - PubMed (1468978)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cochinmicin I (CHEBI:200467) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(2S)-1-[[(3R,6R,9R,15R,16R)-12-benzyl-3,6-bis(3,5-dihydroxyphenyl)-9,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide
Manual XrefsDatabases
78439617ChemSpider