CHEBI:169796 - PA(O-16:0/15:1(9Z))

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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-16:0/15:1(9Z))
ChEBI ID CHEBI:169796
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H67O7P
Net Charge 0
Average Mass 618.877
Monoisotopic Mass 618.46244
InChI InChI=1S/C34H67O7P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-39-31-33(32-40-42(36,37)38)41-34(35)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h12,14,33H,3-11,13,15-32H2,1-2H3,(H2,36,37,38)/b14-12-/t33-/m1/s1
InChIKey FZEFZDYBMCCQFR-HUIXSENASA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)COCCCCCCCCCCCCCCCC)(O)(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue 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 )
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ChEBI Ontology
Outgoing PA(O-16:0/15:1(9Z)) (CHEBI:169796) is a ether lipid (CHEBI:64611)
PA(O-16:0/15:1(9Z)) (CHEBI:169796) is a monoacylglycerol phosphate (CHEBI:16961)
IUPAC Name
[(2R)-1-hexadecoxy-3-phosphonooxypropan-2-yl] (Z)-pentadec-9-enoate
Manual Xref Database
LMGP10020007 LIPID MAPS
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