CHEBI:187557 - PA(O-16:0/12:0)

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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-16:0/12:0)
ChEBI ID CHEBI:187557
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H63O7P
Net Charge 0
Average Mass 578.812
Monoisotopic Mass 578.43114
InChI InChI=1S/C31H63O7P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-36-28-30(29-37-39(33,34)35)38-31(32)26-24-22-20-18-12-10-8-6-4-2/h30H,3-29H2,1-2H3,(H2,33,34,35)/t30-/m1/s1
InChIKey XKILFGZWURXBMZ-SSEXGKCCSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCC)COCCCCCCCCCCCCCCCC)(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-16:0/12:0) (CHEBI:187557) is a ether lipid (CHEBI:64611)
PA(O-16:0/12:0) (CHEBI:187557) is a monoacylglycerol phosphate (CHEBI:16961)
IUPAC Name
[(2R)-1-hexadecoxy-3-phosphonooxypropan-2-yl] dodecanoate
Manual Xrefs Databases
113379315 ChemSpider
LMGP10020002 LIPID MAPS
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