CHEBI:72589 - 1-elaidoyl-sn-glycero-3-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-elaidoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:72589
ChEBI ASCII Name 1-elaidoyl-sn-glycero-3-phosphocholine
Definition A lysophosphatidylcholine 18:1 in which the acyl group is at position 1 is elaidoyl [(9E)-octadec-9-enoyl] and the hydoxy group at position 2 is unsubstituted.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H52NO7P
Net Charge 0
Average Mass 521.66730
Monoisotopic Mass 521.34814
InChI InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12+/t25-/m1/s1
InChIKey YAMUFBLWGFFICM-ZOGNMOHXSA-N
SMILES [H][C@@](O)(COC(=O)CCCCCCC\C=C\CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C
Roles Classification
Biological Role(s): epitope
The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via lysophosphatidylcholine (18:1/0:0) )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via lysophosphatidylcholine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-elaidoyl-sn-glycero-3-phosphocholine (CHEBI:72589) has role epitope (CHEBI:53000)
1-elaidoyl-sn-glycero-3-phosphocholine (CHEBI:72589) is a lysophosphatidylcholine (18:1/0:0) (CHEBI:131739)
IUPAC Name
(2R)-2-hydroxy-3-[(9E)-octadec-9-enoyloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
(2R)-2-hydroxy-3-[(9E)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate IUPAC
(4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide PDBeChem
Manual Xref Database
LSC PDBeChem
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Citation Waiting for Citations Type Source
22395072 PubMed citation Europe PMC
Last Modified
17 November 2016