CHEBI:187215 - PA(18:3(6Z,9Z,12Z)/21:0)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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(18:3(6Z,9Z,12Z)/21:0)
ChEBI ID CHEBI:187215
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H77O8P
Net Charge 0
Average Mass 741.044
Monoisotopic Mass 740.53561
InChI InChI=1S/C42H77O8P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-42(44)50-40(39-49-51(45,46)47)38-48-41(43)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h12,14,18,22,26,28,40H,3-11,13,15-17,19-21,23-25,27,29-39H2,1-2H3,(H2,45,46,47)/b14-12-,22-18-,28-26-/t40-/m1/s1
InChIKey MNHQXWQBHIRTRL-CSVJBOEHSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(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(18:3(6Z,9Z,12Z)/21:0) (CHEBI:187215) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-phosphonooxypropan-2-yl] henicosanoate
Manual Xrefs Databases
113379069 ChemSpider
LMGP10010389 LIPID MAPS
View more database links