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CHEBI:207613 - Cochinmicin II

ChEBI IDCHEBI:207613
ChEBI NameCochinmicin II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H46ClN7O12
Net Charge0
Average Mass924.364
Monoisotopic Mass923.28930
SMILESC[C@H]1NC(=O)C(Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)n2)[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/C46H46ClN7O12/c1-23-40(59)53-38(27-17-29(55)21-30(56)18-27)45(64)54-39(28-19-31(57)22-32(58)20-28)46(65)66-24(2)37(44(63)51-34(42(61)48-23)15-25-9-5-3-6-10-25)52-43(62)35(16-26-11-7-4-8-12-26)50-41(60)33-13-14-36(47)49-33/h3-14,17-24,34-35,37-39,49,55-58H,15-16H2,1-2H3,(H,48,61)(H,50,60)(H,51,63)(H,52,62)(H,53,59)(H,54,64)/t23-,24-,34?,35+,37-,38-,39+/m1/s1
InChIKeySHHDTFPTYUGWHB-HCRLZTEMSA-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 II (CHEBI:207613) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(2S)-1-[[(3S,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]-5-chloro-1H-pyrrole-2-carboxamide
Manual XrefsDatabases
78439833ChemSpider