CHEBI:186978 - PA(14:0/22:0)

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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(14:0/22:0)
ChEBI ID CHEBI:186978
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H77O8P
Net Charge 0
Average Mass 705.011
Monoisotopic Mass 704.53561
InChI InChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(41)47-37(36-46-48(42,43)44)35-45-38(40)33-31-29-27-25-23-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1
InChIKey RVRKTELVIZPMGA-DIPNUNPCSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(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): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PA(14:0/22:0) (CHEBI:186978) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-phosphonooxy-3-tetradecanoyloxypropan-2-yl] docosanoate
Manual Xrefs Databases
74876555 ChemSpider
HMDB0114788 HMDB
LMGP10010923 LIPID MAPS
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