Cryptophycin-38 (CHEBI:200709)

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CHEBI:200709 - Cryptophycin-38

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ChEBI ID	CHEBI:200709
ChEBI Name	Cryptophycin-38
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H43ClN2O8
Net Charge	0
Average Mass	655.188
Monoisotopic Mass	654.27079
SMILES	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]3O[C@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
InChI	InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26-,27+,29+,31+,32+/m1/s1
InChIKey	PSNOPSMXOBPNNV-PJIUNSFYSA-N

Species of Metabolite	Component	Source	Comments
Nostoc (ncbitaxon:1177)	-	PubMed (15332864)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Cryptophycin-38 (CHEBI:200709) is a peptide (CHEBI:16670)

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

Manual Xrefs	Databases
8874822	ChemSpider