Cryptophycin-49 (CHEBI:217223)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:217223 - Cryptophycin-49

Take structure to advanced search

ChEBI ID	CHEBI:217223
ChEBI Name	Cryptophycin-49
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H41ClN2O7
Net Charge	0
Average Mass	625.162
Monoisotopic Mass	624.26023
SMILES	CCC[C@@H]1OC(=O)[C@H](C)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
InChI	InChI=1S/C34H41ClN2O7/c1-5-10-30-34(41)43-28(22(2)15-16-24-11-7-6-8-12-24)13-9-14-31(38)37-27(32(39)36-21-23(3)33(40)44-30)20-25-17-18-29(42-4)26(35)19-25/h6-9,11-12,14-19,22-23,27-28,30H,5,10,13,20-21H2,1-4H3,(H,36,39)(H,37,38)/b14-9+,16-15+/t22-,23-,27-,28+,30+/m1/s1
InChIKey	YEERJYOOOZZKJG-WZRSQFIPSA-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-49 (CHEBI:217223) 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-propyl-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

Manual Xrefs	Databases
9976729	ChemSpider