Lipstatin (CHEBI:225015)

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CHEBI:225015 - Lipstatin

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ChEBI ID	CHEBI:225015
ChEBI Name	Lipstatin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H49NO5
Net Charge	0
Average Mass	491.713
Monoisotopic Mass	491.36107
SMILES	CCCCC/C=C\C/C=C\C[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
InChI	InChI=1S/C29H49NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h12-13,15-16,22-27H,5-11,14,17-21H2,1-4H3,(H,30,31)/b13-12-,16-15-/t24-,25-,26-,27-/m0/s1
InChIKey	OQMAKWGYQLJJIA-CUOOPAIESA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (3680019)

ChEBI Ontology

Outgoing Relation(s)
	Lipstatin (CHEBI:225015) is a leucine derivative (CHEBI:47003)

IUPAC Name
[(2S,4Z,7Z)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]trideca-4,7-dien-2-yl] (2S)-2-ormamido-4-methylpentanoate

Manual Xrefs	Databases
7981411	ChemSpider