Cryptophycin C (CHEBI:203960)

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CHEBI:203960 - Cryptophycin C

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ChEBI ID	CHEBI:203960
ChEBI Name	Cryptophycin C
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Submitter	MetaboLights
Downloads	Molfile

Formula	C35H43ClN2O7
Net Charge	0
Average Mass	639.189
Monoisotopic Mass	638.27588
SMILES	COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
InChI	InChI=1S/C35H43ClN2O7/c1-22(2)18-31-35(42)44-29(23(3)14-15-25-10-7-6-8-11-25)12-9-13-32(39)38-28(33(40)37-21-24(4)34(41)45-31)20-26-16-17-30(43-5)27(36)19-26/h6-11,13-17,19,22-24,28-29,31H,12,18,20-21H2,1-5H3,(H,37,40)(H,38,39)/b13-9+,15-14+/t23-,24-,28+,29+,31+/m1/s1
InChIKey	QLGFKEFRTAOKJU-FDUWFYLVSA-N

Species of Metabolite	Component	Source	Comments
Nostoc (ncbitaxon:1177)	-	PubMed (9090872)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Cryptophycin C (CHEBI:203960) is a peptide (CHEBI:16670)

IUPAC Name
(3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

Manual Xrefs	Databases
8434062	ChemSpider