2-azelaoyl-sn-glycero-3-phosphocholine (CHEBI:91220)

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ChEBI Name	2-azelaoyl-sn-glycero-3-phosphocholine

ChEBI ID	CHEBI:91220

ChEBI ASCII Name	2-azelaoyl-sn-glycero-3-phosphocholine

Definition	A 2-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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C17H34NO9P

Net Charge

Average Mass

427.428

Monoisotopic Mass

427.19712

InChI

InChI=1S/C17H34NO9P/c1-18(2,3)11-12-25-28(23,24)26-14-15(13-19)27-17(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

InChIKey

WVKDDHFUHISZRK-OAHLLOKOSA-N

SMILES

OC(CCCCCCCC(=O)O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])CO)=O

Metabolite of Species	Details
Arabidopsis thaliana (NCBI:txid3702)	Found in root (BTO:0001188). See: MetaboLights Study
Arabidopsis thaliana (NCBI:txid3702)	Found in root (BTO:0001188). See: PubMed

Roles Classification
Biological Role(s):	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). (via lysophosphatidylcholine )

ChEBI Ontology
Outgoing	2-azelaoyl-sn-glycero-3-phosphocholine (CHEBI:91220) has functional parent nonanedioic acid (CHEBI:48131) 2-azelaoyl-sn-glycero-3-phosphocholine (CHEBI:91220) has role plant metabolite (CHEBI:76924) 2-azelaoyl-sn-glycero-3-phosphocholine (CHEBI:91220) is a 2-acyl-sn-glycero-3-phosphocholine (CHEBI:57875) 2-azelaoyl-sn-glycero-3-phosphocholine (CHEBI:91220) is conjugate acid of 2-azelaoyl-sn-glycero-3-phosphocholine(1−) (CHEBI:145780)

Incoming	2-azelaoyl-sn-glycero-3-phosphocholine(1−) (CHEBI:145780) is conjugate base of 2-azelaoyl-sn-glycero-3-phosphocholine (CHEBI:91220)

IUPAC Name

(2R)-2-[(8-carboxyoctanoyl)oxy]-3-hydroxypropyl 2-(trimethylazaniumyl)ethyl phosphate

Synonyms	Sources
2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine	ChEBI
2-(8-carboxyoctanoyl)glycero-3-phosphocholine	ChEBI
2-azelaoylglycero-3-phosphocholine	ChEBI
azelaoyl-lysoPC	ChEBI

Citation	Type	Source
25457500	PubMed citation	Europe PMC

Last Modified

26 July 2016