CHEBI:187346 - PA(14:1(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(14:1(9Z)/20:2(11Z,14Z))
ChEBI ID CHEBI:187346
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H67O8P
Net Charge 0
Average Mass 670.909
Monoisotopic Mass 670.45736
InChI InChI=1S/C37H67O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-14-12-10-8-6-4-2/h10-13,16-17,35H,3-9,14-15,18-34H2,1-2H3,(H2,40,41,42)/b12-10-,13-11-,17-16-/t35-/m1/s1
InChIKey HAFLIWPOKKVYBN-CTBOXKONSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC)(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(14:1(9Z)/20:2(11Z,14Z)) (CHEBI:187346) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-phosphonooxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
Manual Xrefs Databases
74877244 ChemSpider
HMDB0115506 HMDB
LMGP10010127 LIPID MAPS
View more database links