Cryptophycin-29 (CHEBI:227840)

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CHEBI:227840 - Cryptophycin-29

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ChEBI ID	CHEBI:227840
ChEBI Name	Cryptophycin-29
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H41ClN2O7
Net Charge	0
Average Mass	625.162
Monoisotopic Mass	624.26023
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)CCNC2=O)cc1Cl
InChI	InChI=1S/C34H41ClN2O7/c1-22(2)19-30-34(41)44-28(23(3)13-14-24-9-6-5-7-10-24)11-8-12-31(38)37-27(33(40)36-18-17-32(39)43-30)21-25-15-16-29(42-4)26(35)20-25/h5-10,12-16,20,22-23,27-28,30H,11,17-19,21H2,1-4H3,(H,36,40)(H,37,38)/b12-8+,14-13+/t23-,27-,28+,30+/m1/s1
InChIKey	XFXOMGLTDWTPTP-SEZBCZDQSA-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-29 (CHEBI:227840) is a peptide (CHEBI:16670)

IUPAC Name
(3S,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)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
8547199	ChemSpider