Cryptophycin-23 (CHEBI:207685)

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CHEBI:207685 - Cryptophycin-23

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ChEBI ID	CHEBI:207685
ChEBI Name	Cryptophycin-23
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H40Cl2N2O8
Net Charge	0
Average Mass	675.606
Monoisotopic Mass	674.21617
SMILES	CC(C)C[C@@H]1OC(=O)[C@H](C)CNC(=O)[C@@H](Cc2cc(Cl)c(O)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
InChI	InChI=1S/C34H40Cl2N2O8/c1-18(2)13-27-34(43)44-26(20(4)30-31(46-30)22-9-6-5-7-10-22)11-8-12-28(39)38-25(32(41)37-17-19(3)33(42)45-27)16-21-14-23(35)29(40)24(36)15-21/h5-10,12,14-15,18-20,25-27,30-31,40H,11,13,16-17H2,1-4H3,(H,37,41)(H,38,39)/b12-8+/t19-,20+,25-,26+,27+,30-,31-/m1/s1
InChIKey	WNKVYYZASJQZMX-YFBMXWBHSA-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-23 (CHEBI:207685) is a peptide (CHEBI:16670)

IUPAC Name
(3S,6R,10R,13E,16S)-10-[(3,5-dichloro-4-hydroxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

Manual Xrefs	Databases
8875033	ChemSpider