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CHEBI:230621 - pa(12:0/18:2(9z,12z))

Default Structure
ChEBI IDCHEBI:230621
ChEBI Namepa(12:0/18:2(9z,12z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H61O8P
Net Charge0
Average Mass616.817
Monoisotopic Mass616.41041
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C33H61O8P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-33(35)41-31(30-40-42(36,37)38)29-39-32(34)27-25-23-21-19-12-10-8-6-4-2/h11,13,15-16,31H,3-10,12,14,17-30H2,1-2H3,(H2,36,37,38)/b13-11-,16-15-/t31-/m1/s1
InChIKeyVETGGWYHDGBKJU-ONKYHFFOSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
pa(12:0/18:2(9z,12z)) (CHEBI:230621) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
113378842ChemSpider
LMGP10010051LIPID MAPS