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CHEBI:184979 - ox-LGD2

ChEBI IDCHEBI:184979
ChEBI Nameox-LGD2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O6
Net Charge0
Average Mass366.454
Monoisotopic Mass366.20424
SMILESCCCCC[C@H](O)/C=C/C1=C(C/C=C\CCCC(=O)O)C(=O)OC1(C)O
InChIInChI=1S/C20H30O6/c1-3-4-7-10-15(21)13-14-17-16(19(24)26-20(17,2)25)11-8-5-6-9-12-18(22)23/h5,8,13-15,21,25H,3-4,6-7,9-12H2,1-2H3,(H,22,23)/b8-5-,14-13+/t15-,20?/m0/s1
InChIKeyRAQOIYLDXSAKSS-DPLATEDBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
ox-LGD2 (CHEBI:184979) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(Z)-7-[5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-5-methyl-2-oxouran-3-yl]hept-5-enoic acid
Manual XrefsDatabases
113369482ChemSpider
LMFA03100037LIPID MAPS