Cryptophycin-18 (CHEBI:214098)

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CHEBI:214098 - Cryptophycin-18

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ChEBI ID	CHEBI:214098
ChEBI Name	Cryptophycin-18
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H43ClN2O7
Net Charge	0
Average Mass	639.189
Monoisotopic Mass	638.27588
SMILES	CC[C@H](C)[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/C35H43ClN2O7/c1-6-22(2)32-35(42)44-29(23(3)15-16-25-11-8-7-9-12-25)13-10-14-31(39)38-28(33(40)37-21-24(4)34(41)45-32)20-26-17-18-30(43-5)27(36)19-26/h7-12,14-19,22-24,28-29,32H,6,13,20-21H2,1-5H3,(H,37,40)(H,38,39)/b14-10+,16-15+/t22-,23+,24+,28+,29-,32-/m0/s1
InChIKey	CCZRCVCMUDRTLT-JLDLTTNLSA-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-18 (CHEBI:214098) is a peptide (CHEBI:16670)

IUPAC Name
(3S,6R,10R,13E,16S)-3-[(2S)-butan-2-yl]-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-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
8898117	ChemSpider