CHEBI:178437 - PA(21:0/16:0)

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(21:0/16:0)
ChEBI ID CHEBI:178437
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H79O8P
Net Charge 0
Average Mass 719.038
Monoisotopic Mass 718.55126
InChI InChI=1S/C40H79O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-34-39(41)46-36-38(37-47-49(43,44)45)48-40(42)35-33-31-29-27-25-22-16-14-12-10-8-6-4-2/h38H,3-37H2,1-2H3,(H2,43,44,45)/t38-/m1/s1
InChIKey TWDANRDMBSYVPM-KXQOOQHDSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)(O)(O)=O
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(21:0/16:0) (CHEBI:178437) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-hexadecanoyloxy-3-phosphonooxypropyl] henicosanoate
Manual Xrefs Databases
74876969 ChemSpider
HMDB0115229 HMDB
LMGP10010679 LIPID MAPS
View more database links