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CHEBI:225006 - Trihomononactic acid

ChEBI IDCHEBI:225006
ChEBI NameTrihomononactic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24O4
Net Charge0
Average Mass244.331
Monoisotopic Mass244.16746
SMILESCCC[C@H](O)[C@H](C)[C@@H]1CC[C@H]([C@H](C)C(=O)O)O1
InChIInChI=1S/C13H24O4/c1-4-5-10(14)8(2)11-6-7-12(17-11)9(3)13(15)16/h8-12,14H,4-7H2,1-3H3,(H,15,16)/t8-,9-,10-,11-,12+/m0/s1
InChIKeyPHBJNSWUIXMFPC-UHFZAUJKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces globisporus (ncbitaxon:1908) - DOI (10.1002/ejoc.200400276)
ChEBI Ontology
Outgoing Relation(s)
Trihomononactic acid (CHEBI:225006) is a oxolanes (CHEBI:26912)
IUPAC Name 
(2S)-2-[(2R,5S)-5-[(2S,3S)-3-hydroxyhexan-2-yl]oxolan-2-yl]propanoic acid
Manual XrefsDatabases
9451607ChemSpider