CHEBI:186505 - PA(19:1(9Z)/22:2(13Z,16Z))

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(19:1(9Z)/22:2(13Z,16Z))
ChEBI ID CHEBI:186505
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000058638841
Download Molfile XML SDF
Formula C44H81O8P
Net Charge 0
Average Mass 769.098
Monoisotopic Mass 768.56691
InChI InChI=1S/C44H81O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(46)52-42(41-51-53(47,48)49)40-50-43(45)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,24,42H,3-10,12,14-16,18,21-23,25-41H2,1-2H3,(H2,47,48,49)/b13-11-,19-17-,24-20-/t42-/m1/s1
InChIKey XZVPNSBCQQBZLB-RNDHPGFTSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCC)(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(19:1(9Z)/22:2(13Z,16Z)) (CHEBI:186505) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-[(Z)-nonadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xrefs Databases
113379140 ChemSpider
LMGP10010506 LIPID MAPS
View more database links