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CHEBI:138940 - 1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:138940
ChEBI Name1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine
Stars
ASCII Name1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine
DefinitionA 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl and the acyl groups at positions 1 and 2 are specified as hexadecyl and 8-carboxyoctanoyl respectively.
Last Modified26 February 2024
SubmitterSteve
DownloadsMolfile
FormulaC33H66NO9P
Net Charge0
Average Mass651.863
Monoisotopic Mass651.44752
SMILESCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC(=O)O
InChIInChI=1S/C33H66NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-40-29-31(30-42-44(38,39)41-28-26-34(2,3)4)43-33(37)25-22-19-17-18-21-24-32(35)36/h31H,5-30H2,1-4H3,(H-,35,36,38,39)/t31-/m1/s1
InChIKeyZDFOCDTXDPKJKA-WJOKGBTCSA-N
Roles Classification
Biological Role:
PPARgamma agonist  A PPAR modulator which activates the peroxisome proliferator-activated receptor-γ.
ChEBI Ontology
Outgoing Relation(s)
1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine (CHEBI:138940) has functional parent nonanedioic acid (CHEBI:48131)
1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine (CHEBI:138940) has role PPARγ agonist (CHEBI:71554)
1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine (CHEBI:138940) is a oxidized 1-O-alkyl-2-acyl-sn-glycero-3-phosphocholine zwitterion (CHEBI:167120)
1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine (CHEBI:138940) is conjugate acid of 1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine(1−) (CHEBI:138269)
Incoming Relation(s)
1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine(1−) (CHEBI:138269) is conjugate base of 1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine (CHEBI:138940)
IUPAC Name 
(2R)-2-[(8-carboxyoctanoyl)oxy]-3-(hexadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-O-hexadecyl-2-azelaoyl-sn-glycero-3-phosphocholineChEBI
PC(O-16:0/9:0(COOH))ChEBI
1-O-hexadecyl-2-nonadioyl-sn-glycero-3-phosphocholineChEBI
azelaoyl PAFChEBI
Registry NumbersSources
Reaxys:15471660Reaxys
Citations