Cryptophycin-19 (CHEBI:203151)

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CHEBI:203151 - Cryptophycin-19

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ChEBI ID	CHEBI:203151
ChEBI Name	Cryptophycin-19
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](C(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
InChI	InChI=1S/C34H41ClN2O7/c1-21(2)31-34(41)43-28(22(3)14-15-24-10-7-6-8-11-24)12-9-13-30(38)37-27(32(39)36-20-23(4)33(40)44-31)19-25-16-17-29(42-5)26(35)18-25/h6-11,13-18,21-23,27-28,31H,12,19-20H2,1-5H3,(H,36,39)(H,37,38)/b13-9+,15-14+/t22-,23-,27-,28+,31+/m1/s1
InChIKey	OVOJAAKFACTXHX-IJAGWASISA-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-19 (CHEBI:203151) is a peptide (CHEBI:16670)

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

Manual Xrefs	Databases
8731309	ChemSpider