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CHEBI:91219 - 1-azelaoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:91219
ChEBI Name1-azelaoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-azelaoyl-sn-glycero-3-phosphocholine
DefinitionA 1-O-acyl-sn-glycero-3-phosphocholine obtained by formal condensation of one of the carboxy groups of azelaic acid with the 1-hydroxy group of sn-glycero-3-phosphocholine.
Last Modified26 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC17H34NO9P
Net Charge0
Average Mass427.431
Monoisotopic Mass427.19712
SMILESC[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)COC(=O)CCCCCCCC(=O)O
InChIInChI=1S/C17H34NO9P/c1-18(2,3)11-12-26-28(23,24)27-14-15(19)13-25-17(22)10-8-6-4-5-7-9-16(20)21/h15,19H,4-14H2,1-3H3,(H-,20,21,23,24)/t15-/m1/s1
InChIKeyTWYBESPQJGNNCX-OAHLLOKOSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
root (BTO:0001188) PubMed (25457500)
root (BTO:0001188) MetaboLights (MTBLS160)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-azelaoyl-sn-glycero-3-phosphocholine (CHEBI:91219) has functional parent nonanedioic acid (CHEBI:48131)
1-azelaoyl-sn-glycero-3-phosphocholine (CHEBI:91219) has role plant metabolite (CHEBI:76924)
1-azelaoyl-sn-glycero-3-phosphocholine (CHEBI:91219) is a 1-O-acyl-sn-glycero-3-phosphocholine (CHEBI:58168)
IUPAC Name 
(2R)-3-[(8-carboxyoctanoyl)oxy]-2-hydroxypropyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
azelaoyl-lysoPCChEBI
1-(8-carboxyoctanoyl)glycero-3-phosphocholineChEBI
1-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholineChEBI
1-azelaoylglycero-3-phosphocholineChEBI
Citations