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CHEBI:186412 - PA(12:0/20:4(5Z,8Z,11Z,14Z))

ChEBI IDCHEBI:186412
ChEBI NamePA(12:0/20:4(5Z,8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H61O8P
Net Charge0
Average Mass640.839
Monoisotopic Mass640.41041
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C35H61O8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-35(37)43-33(32-42-44(38,39)40)31-41-34(36)29-27-25-23-21-12-10-8-6-4-2/h11,13,15-16,18-19,22,24,33H,3-10,12,14,17,20-21,23,25-32H2,1-2H3,(H2,38,39,40)/b13-11-,16-15-,19-18-,24-22-/t33-/m1/s1
InChIKeyYWCNTUOGAOVKRY-NNGNVDISSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(12:0/20:4(5Z,8Z,11Z,14Z)) (CHEBI:186412) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual XrefsDatabases
113378851ChemSpider
LMGP10010060LIPID MAPS