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CHEBI:74968 - 1-icosanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:74968
ChEBI Name1-icosanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-icosanoyl-sn-glycero-3-phosphocholine
DefinitionA 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as icosanoyl.
Last Modified7 October 2016
Submitterlaimo
DownloadsMolfile
FormulaC28H58NO7P
Net Charge0
Average Mass551.746
Monoisotopic Mass551.39509
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C28H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h27,30H,5-26H2,1-4H3/t27-/m1/s1
InChIKeyUATOAILWGVYRQS-HHHXNRCGSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-icosanoyl-sn-glycero-3-phosphocholine (CHEBI:74968) has functional parent icosanoic acid (CHEBI:28822)
1-icosanoyl-sn-glycero-3-phosphocholine (CHEBI:74968) is a 1-O-acyl-sn-glycero-3-phosphocholine (CHEBI:58168)
1-icosanoyl-sn-glycero-3-phosphocholine (CHEBI:74968) is a lysophosphatidylcholine 20:0 (CHEBI:67058)
Incoming Relation(s)
1-icosanoyl-2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:75294) has functional parent 1-icosanoyl-sn-glycero-3-phosphocholine (CHEBI:74968)
IUPAC Name 
(2R)-2-hydroxy-3-(icosanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-eicosanoyl-sn-glycero-3-phosphocholineSUBMITTER
1-arachidoyl-sn-glycero-3-phosphocholineSUBMITTER
PC(20:0/0:0)LIPID MAPS
LPC(20:0/0:0)HMDB
LPC(20:0)HMDB
LysoPC(20:0/0:0)HMDB
UniProt Name  Source
1-eicosanoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01050045LIPID MAPS
HMDB0010390HMDB
Registry NumbersSources
Reaxys:5662736Reaxys