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CHEBI:206979 - Cochinmicin IV

ChEBI IDCHEBI:206979
ChEBI NameCochinmicin IV
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H46ClN7O13
Net Charge0
Average Mass940.363
Monoisotopic Mass939.28421
SMILESC[C@H]1OC(=O)[C@H](c2cc(O)cc(O)c2)NC(=O)[C@@H](c2cc(O)cc(O)c2)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)n1
InChIInChI=1S/C46H46ClN7O13/c1-23-37(52-42(62)34(15-25-10-6-3-7-11-25)49-40(60)32-12-13-36(47)48-32)44(64)50-33(14-24-8-4-2-5-9-24)41(61)51-35(22-55)43(63)53-38(26-16-28(56)20-29(57)17-26)45(65)54-39(46(66)67-23)27-18-30(58)21-31(59)19-27/h2-13,16-21,23,33-35,37-39,48,55-59H,14-15,22H2,1H3,(H,49,60)(H,50,64)(H,51,61)(H,52,62)(H,53,63)(H,54,65)/t23-,33+,34+,35-,37-,38-,39+/m1/s1
InChIKeyIGUQVVLOCYHROT-SUDNLDJISA-N
Species of MetaboliteComponentSourceComments
Microbisporaspecies (ncbitaxon:1898321) - PubMed (1468988)
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 IV (CHEBI:206979) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(2S)-1-[[(3S,6R,9R,12S,15R,16R)-12-benzyl-3,6-bis(3,5-dihydroxyphenyl)-9-(hydroxymethyl)-16-methyl-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
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