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CHEBI:75026 - 1-stearoyl-2-palmitoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:75026
ChEBI Name1-stearoyl-2-palmitoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-stearoyl-2-palmitoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 34:0 in which the two acyl substituents at positions 1 and 2 are specified as stearoyl and palmitoyl respectively.
Last Modified10 January 2017
Submitterlaimo
DownloadsMolfile
FormulaC42H84NO8P
Net Charge0
Average Mass762.107
Monoisotopic Mass761.59346
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
InChIKeyBYSIMVBIJVBVPA-RRHRGVEJSA-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-stearoyl-2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:75026) has functional parent octadecanoic acid (CHEBI:28842)
1-stearoyl-2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:75026) is a 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:75279)
1-stearoyl-2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:75026) is a phosphatidylcholine 34:0 (CHEBI:66855)
IUPAC Name 
(2R)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-octadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholineSUBMITTER
1-C18:0-2-C16:0-phosphatidylcholineSUBMITTER
PC(18:0/16:0)ChEBI
Phosphatidylcholine(34:0)HMDB
PC(34:0)HMDB
Phosphatidylcholine(18:0/16:0)HMDB
UniProt Name  Source
1-octadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01010742LIPID MAPS
HMDB0000436HMDB
HMDB0008034HMDB
Registry NumbersSources
Reaxys:6258560Reaxys