Dolabellin (CHEBI:203522)

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CHEBI:203522 - Dolabellin

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ChEBI ID	CHEBI:203522
ChEBI Name	Dolabellin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H32Cl2N2O8S2
Net Charge	0
Average Mass	611.566
Monoisotopic Mass	610.09771
SMILES	COC(=O)c1csc([C@@H](OC(=O)[C@H](C)[C@H](CCCC(C)(Cl)Cl)OC(=O)c2csc([C@H](O)CO)n2)C(C)C)n1
InChI	InChI=1S/C24H32Cl2N2O8S2/c1-12(2)18(20-28-14(10-38-20)22(32)34-5)36-21(31)13(3)17(7-6-8-24(4,25)26)35-23(33)15-11-37-19(27-15)16(30)9-29/h10-13,16-18,29-30H,6-9H2,1-5H3/t13-,16-,17+,18+/m1/s1
InChIKey	JHKFWJUVTLNOJZ-ZSGPHXLJSA-N

Species of Metabolite	Component	Source	Comments
Cyanobacterium (ncbitaxon:102234)	-	DOI (10.1021/jo00120a021)

ChEBI Ontology

Outgoing Relation(s)
	Dolabellin (CHEBI:203522) is a carbonyl compound (CHEBI:36586)

IUPAC Name
[(2R,3S)-7,7-dichloro-1-[(1S)-1-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2-methylpropoxy]-2-methyl-1-oxooctan-3-yl] 2-[(1R)-1,2-dihydroxyethyl]-1,3-thiazole-4-carboxylate

Manual Xrefs	Databases
344011	ChemSpider