Cryptophycin 175 (CHEBI:200097)

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CHEBI:200097 - Cryptophycin 175

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ChEBI ID	CHEBI:200097
ChEBI Name	Cryptophycin 175
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H42Cl2N2O7
Net Charge	0
Average Mass	673.634
Monoisotopic Mass	672.23691
SMILES	COc1c(Cl)cc(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/C35H42Cl2N2O7/c1-21(2)16-30-35(43)45-29(22(3)14-15-24-10-7-6-8-11-24)12-9-13-31(40)39-28(33(41)38-20-23(4)34(42)46-30)19-25-17-26(36)32(44-5)27(37)18-25/h6-11,13-15,17-18,21-23,28-30H,12,16,19-20H2,1-5H3,(H,38,41)(H,39,40)/b13-9+,15-14+/t22-,23-,28-,29+,30+/m1/s1
InChIKey	WTWQLCDDGYJOLG-GAWFYVAGSA-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 175 (CHEBI:200097) is a peptide (CHEBI:16670)

IUPAC Name
(3S,6R,10R,13E,16S)-10-[(3,5-dichloro-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
8779889	ChemSpider