CHEBI:186709 - PA(O-18:0/22:2(13Z,16Z))

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ChEBI Name PA(O-18:0/22:2(13Z,16Z))
ChEBI ID CHEBI:186709
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H83O7P
Net Charge 0
Average Mass 743.104
Monoisotopic Mass 742.58764
InChI InChI=1S/C43H83O7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-43(44)50-42(41-49-51(45,46)47)40-48-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,42H,3-10,12,14-16,18,20-41H2,1-2H3,(H2,45,46,47)/b13-11-,19-17-/t42-/m1/s1
InChIKey RZQXPTWDEMDRAH-GZHHDXNOSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COCCCCCCCCCCCCCCCCCC)(O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via monoacylglycerol phosphate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PA(O-18:0/22:2(13Z,16Z)) (CHEBI:186709) is a ether lipid (CHEBI:64611)
PA(O-18:0/22:2(13Z,16Z)) (CHEBI:186709) is a monoacylglycerol phosphate (CHEBI:16961)
IUPAC Name
[(2R)-1-octadecoxy-3-phosphonooxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xrefs Databases
113379353 ChemSpider
LMGP10020040 LIPID MAPS
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