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CHEBI:75034 - 1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:75034
ChEBI Name1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 36:1 in which the phosphatidyl acyl groups at positions 1 and 2 are stearoyl and oleoyl respectively.
Secondary ChEBI IDCHEBI:73861
Last Modified8 December 2016
Submitterlaimo, mwilliams
DownloadsMolfile
FormulaC44H86NO8P
Net Charge0
Average Mass788.145
Monoisotopic Mass787.60911
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,42H,6-20,22,24-41H2,1-5H3/b23-21-/t42-/m1/s1
InChIKeyATHVAWFAEPLPPQ-VRDBWYNSSA-N
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine (CHEBI:75034) is a 1-acyl-2-oleoyl-sn-glycero-3-phosphocholine betaine (CHEBI:58293)
1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine (CHEBI:75034) is a 1-octadecanoyl-2-octadecenoyl-sn-glycero-3-phosphocholine (CHEBI:84818)
1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine (CHEBI:75034) is conjugate base of 1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine(1+) (CHEBI:60653)
Incoming Relation(s)
1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine(1+) (CHEBI:60653) is conjugate acid of 1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine (CHEBI:75034)
IUPAC Name 
(2R)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholineLIPID MAPS
(2R)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphateIUPAC
1-Stearoyl-2-oleoyl-sn-glycero-3-phosphocholineHMDB
phosphatidylcholine(18:0/18:1(9Z))ChEBI
PC 18:0/18:1(9Z)ChEBI
GPCho 18:0/18:1(9Z)ChEBI
UniProt Name  Source
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01010761LIPID MAPS
HMDB0008038HMDB
CPD-8278MetaCyc
Registry NumbersSources
Reaxys:6089730Reaxys
CAS:6753-56-6ChemIDplus
Citations