Cryptophycin-30 (CHEBI:209992)

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CHEBI:209992 - Cryptophycin-30

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ChEBI ID	CHEBI:209992
ChEBI Name	Cryptophycin-30
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Submitter	MetaboLights
Downloads	Molfile

Formula	C35H45ClN2O8
Net Charge	0
Average Mass	657.204
Monoisotopic Mass	656.28644
SMILES	COc1ccc(C[C@H]2NC(=O)C[C@H](O)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/C35H45ClN2O8/c1-21(2)15-31-35(43)45-30(22(3)11-12-24-9-7-6-8-10-24)18-26(39)19-32(40)38-28(33(41)37-20-23(4)34(42)46-31)17-25-13-14-29(44-5)27(36)16-25/h6-14,16,21-23,26,28,30-31,39H,15,17-20H2,1-5H3,(H,37,41)(H,38,40)/b12-11+/t22-,23-,26-,28-,30+,31+/m1/s1
InChIKey	JFPRSGZLRPUHFQ-NPFQDIQASA-N

Species of Metabolite	Component	Source	Comments
Nostoc (ncbitaxon:1177)	-	DOI (10.1021/ja00154a002)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Cryptophycin-30 (CHEBI:209992) is a peptide (CHEBI:16670)

IUPAC Name
(3S,6R,10R,14R,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-14-hydroxy-6-methyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadecane-2,5,9,12-tetrone

Manual Xrefs	Databases
8827278	ChemSpider