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CHEBI:230864 - (Z)-5-[(2R,3S,4S)-4-Hydroxy-2-[(E)-3-hydroxyoct-1-enyl]oxan-3-yl]pent-3-enoic acid

Default Structure
ChEBI IDCHEBI:230864
ChEBI Name(Z)-5-[(2R,3S,4S)-4-Hydroxy-2-[(E)-3-hydroxyoct-1-enyl]oxan-3-yl]pent-3-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O5
Net Charge0
Average Mass326.433
Monoisotopic Mass326.20932
SMILESCCCCCC(O)/C=C/[C@H]1OCC[C@H](O)[C@@H]1C/C=C\CC(=O)O
InChIInChI=1S/C18H30O5/c1-2-3-4-7-14(19)10-11-17-15(16(20)12-13-23-17)8-5-6-9-18(21)22/h5-6,10-11,14-17,19-20H,2-4,7-9,12-13H2,1H3,(H,21,22)/b6-5-,11-10+/t14?,15-,16-,17+/m0/s1
InChIKeyCMBTXTLLBGRNAY-LEARKBIKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
(Z)-5-[(2R,3S,4S)-4-Hydroxy-2-[(E)-3-hydroxyoct-1-enyl]oxan-3-yl]pent-3-enoic acid (CHEBI:230864) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(Z)-5-[(2R,3S,4S)-4-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]oxan-3-yl]pent-3-enoic acid
Manual XrefsDatabases
4947648ChemSpider