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CHEBI:85680 - 1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion

ChEBI IDCHEBI:85680
ChEBI Name1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion
Stars
ASCII Name1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion
DefinitionA 1,2-diacyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion in which the phosphatidyl acyl groups are both specified as oleoyl (9Z-octadecenoyl); major species at pH 7.3.
Last Modified8 June 2015
Submitternhn
DownloadsMolfile
FormulaC43H82NO8P
Net Charge0
Average Mass772.102
Monoisotopic Mass771.57781
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH+](C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C43H82NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3)4)52-43(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,41H,5-18,23-40H2,1-4H3,(H,47,48)/b21-19-,22-20-/t41-/m1/s1
InChIKeyXHPZRQBHFOVLEJ-UNUIOPIBSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion (CHEBI:85680) has role human metabolite (CHEBI:77746)
1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion (CHEBI:85680) is a 1,2-diacyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion (CHEBI:64572)
1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion (CHEBI:85680) is tautomer of 1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine (CHEBI:85963)
Incoming Relation(s)
1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine (CHEBI:85963) is tautomer of 1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion (CHEBI:85680)
IUPAC Name 
(2R)-2,3-bis{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(dimethylazaniumyl)ethyl phosphate
Synonym  Source
1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterionSUBMITTER
UniProt Name  Source
1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho-N,N-dimethylethanolamineUniProt
Citations