Cryptophycin-43 (CHEBI:205054)

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CHEBI:205054 - Cryptophycin-43

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ChEBI ID	CHEBI:205054
ChEBI Name	Cryptophycin-43
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H42N2O7
Net Charge	0
Average Mass	590.717
Monoisotopic Mass	590.29920
SMILES	CC(C)C[C@@H]1OC(=O)[C@H](C)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
InChI	InChI=1S/C34H42N2O7/c1-22(2)19-30-34(41)42-29(23(3)13-14-25-9-6-5-7-10-25)11-8-12-31(38)36-28(20-26-15-17-27(37)18-16-26)32(39)35-21-24(4)33(40)43-30/h5-10,12-18,22-24,28-30,37H,11,19-21H2,1-4H3,(H,35,39)(H,36,38)/b12-8+,14-13+/t23-,24-,28-,29+,30+/m1/s1
InChIKey	MPPCENBEKXDXSB-WGEPZXCHSA-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-43 (CHEBI:205054) is a peptide (CHEBI:16670)

IUPAC Name
(3S,6R,10R,13E,16S)-10-[(4-hydroxyphenyl)methyl]-6-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
8945046	ChemSpider