CHEBI:186811 - PA(15:1(9Z)/20:2(11Z,14Z))

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(15:1(9Z)/20:2(11Z,14Z))
ChEBI ID CHEBI:186811
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H69O8P
Net Charge 0
Average Mass 684.936
Monoisotopic Mass 684.47301
InChI InChI=1S/C38H69O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(40)46-36(35-45-47(41,42)43)34-44-37(39)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11-14,17-18,36H,3-10,15-16,19-35H2,1-2H3,(H2,41,42,43)/b13-11-,14-12-,18-17-/t36-/m1/s1
InChIKey RTHHPJNFLVVKMU-VMZGMEGFSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/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(15:1(9Z)/20:2(11Z,14Z)) (CHEBI:186811) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-[(Z)-pentadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
Manual Xrefs Databases
113378928 ChemSpider
LMGP10010180 LIPID MAPS
View more database links