Octalactin A (CHEBI:222576)

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CHEBI:222576 - Octalactin A

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ChEBI ID	CHEBI:222576
ChEBI Name	Octalactin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H32O6
Net Charge	0
Average Mass	356.459
Monoisotopic Mass	356.21989
SMILES	CC(C)[C@@H](O)C[C@H]1O[C@]1(C)C(=O)[C@@H](C)[C@@H]1CC[C@H](C)[C@H](O)CC(=O)O1
InChI	InChI=1S/C19H32O6/c1-10(2)13(20)8-16-19(5,25-16)18(23)12(4)15-7-6-11(3)14(21)9-17(22)24-15/h10-16,20-21H,6-9H2,1-5H3/t11-,12-,13-,14+,15-,16+,19-/m0/s1
InChIKey	DFXGSTPVTKDVPD-PTFVMZFFSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies (ncbitaxon:1931)	-	DOI (10.1021/ja00012a048)

ChEBI Ontology

Outgoing Relation(s)
	Octalactin A (CHEBI:222576) is a lactone (CHEBI:25000)

IUPAC Name
(4R,5S,8S)-4-hydroxy-8-[(2S)-1-[(2S,3R)-3-[(2S)-2-hydroxy-3-methylbutyl]-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-5-methyloxocan-2-one

Manual Xrefs	Databases
9047272	ChemSpider