Cryptophycin-28 (CHEBI:217640)

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CHEBI:217640 - Cryptophycin-28

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ChEBI ID	CHEBI:217640
ChEBI Name	Cryptophycin-28
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/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
InChI	InChI=1S/C34H41ClN2O7/c1-22(2)18-30-34(41)43-26(13-8-12-24-10-6-5-7-11-24)14-9-15-31(38)37-28(32(39)36-21-23(3)33(40)44-30)20-25-16-17-29(42-4)27(35)19-25/h5-12,15-17,19,22-23,26,28,30H,13-14,18,20-21H2,1-4H3,(H,36,39)(H,37,38)/b12-8+,15-9+/t23-,26-,28-,30+/m1/s1
InChIKey	YMZVKVLSUBCSND-DWEOSBBHSA-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-28 (CHEBI:217640) is a peptide (CHEBI:16670)

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

Manual Xrefs	Databases
8683583	ChemSpider