CHEBI:183146 - PA(O-18:0/18:3(6Z,9Z,12Z))

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PA(O-18:0/18:3(6Z,9Z,12Z))
ChEBI ID CHEBI:183146
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H73O7P
Net Charge 0
Average Mass 684.980
Monoisotopic Mass 684.50939
InChI InChI=1S/C39H73O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-36-38(37-45-47(41,42)43)46-39(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,38H,3-11,13,15-17,19,21-23,25,27-37H2,1-2H3,(H2,41,42,43)/b14-12-,20-18-,26-24-/t38-/m1/s1
InChIKey BMAXIMHASVHMKO-NVPSEEHGSA-N
SMILES P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COCCCCCCCCCCCCCCCCCC)(O)(O)=O
Metabolite of Species Details
Trypanosoma brucei (NCBI:txid5691) Found in cell culture (BTO:0000214). 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-18:0/18:3(6Z,9Z,12Z)) (CHEBI:183146) is a ether lipid (CHEBI:64611)
PA(O-18:0/18:3(6Z,9Z,12Z)) (CHEBI:183146) is a monoacylglycerol phosphate (CHEBI:16961)
IUPAC Name
[(2R)-1-octadecoxy-3-phosphonooxypropan-2-yl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual Xrefs Databases
113379343 ChemSpider
LMGP10020030 LIPID MAPS
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