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CHEBI:83718 - 1,2-distearoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:83718
ChEBI Name1,2-distearoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1,2-distearoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 36:0 in which both phosphatidyl acyl groups are specified as stearoyl (octadecanoyl).
Last Modified11 August 2016
Submitterlaimo
DownloadsMolfile
FormulaC44H88NO8P
Net Charge0
Average Mass790.161
Monoisotopic Mass789.62476
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1
InChIKeyNRJAVPSFFCBXDT-HUESYALOSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1,2-distearoyl-sn-glycero-3-phosphocholine (CHEBI:83718) has functional parent octadecanoic acid (CHEBI:28842)
1,2-distearoyl-sn-glycero-3-phosphocholine (CHEBI:83718) is a phosphatidylcholine 36:0 (CHEBI:66858)
IUPAC Name 
(2R)-2,3-bis(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC 18:0/18:0SUBMITTER
PC (18:0)2SUBMITTER
PC(18:0/18:0)LIPID MAPS
Distearoyl phosphatidylcholineLIPID MAPS
GPCho(36:0)HMDB
GPCho(18:0/18:0)HMDB
UniProt Name  Source
1,2-dioctadecanoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01010006LIPID MAPS
HMDB0008036HMDB
Registry NumbersSources
Reaxys:3923978Reaxys
CAS:816-94-4ChemIDplus
Citations