CHEBI:230924 - PA(20:3(6,8,11)-OH(5)/14:0)

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(20:3(6,8,11)-OH(5)/14:0)
ChEBI ID CHEBI:230924
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H67O9P
Net Charge 0
Average Mass 686.908
Monoisotopic Mass 686.45227
InChI InChI=1S/C37H67O9P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-28-34(38)29-27-31-36(39)44-32-35(33-45-47(41,42)43)46-37(40)30-26-24-22-20-17-14-12-10-8-6-4-2/h16,18,21,23,25,28,34-35,38H,3-15,17,19-20,22,24,26-27,29-33H2,1-2H3,(H2,41,42,43)/b18-16+,23-21+,28-25+/t34?,35-/m1/s1
InChIKey RSSJICABYFWFFS-NERPGPQUSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCC(O)/C=C/C=C/C\C=C\CCCCCCCC)(O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing PA(20:3(6,8,11)-OH(5)/14:0) (CHEBI:230924) is a organic molecular entity (CHEBI:50860)
IUPAC Name
[(2R)-3-phosphonooxy-2-tetradecanoyloxypropyl] (6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoate
Manual Xrefs Databases
117219105 ChemSpider
HMDB0263053 HMDB
View more database links