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CHEBI:138195 - 1,2-diheptanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:138195
ChEBI Name1,2-diheptanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1,2-diheptanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 14:0 in which both acyl groups are specified as heptanoyl.
Last Modified24 October 2017
Submitterlaimo
DownloadsMolfile
FormulaC22H44NO8P
Net Charge0
Average Mass481.567
Monoisotopic Mass481.28045
SMILESCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC
InChIInChI=1S/C22H44NO8P/c1-6-8-10-12-14-21(24)28-18-20(31-22(25)15-13-11-9-7-2)19-30-32(26,27)29-17-16-23(3,4)5/h20H,6-19H2,1-5H3/t20-/m1/s1
InChIKeyRBFSPQDASPEAID-HXUWFJFHSA-N
Roles Classification
Chemical Role:
detergent  A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions.
Application:
detergent  A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions.
ChEBI Ontology
Outgoing Relation(s)
1,2-diheptanoyl-sn-glycero-3-phosphocholine (CHEBI:138195) has functional parent heptanoic acid (CHEBI:45571)
1,2-diheptanoyl-sn-glycero-3-phosphocholine (CHEBI:138195) has role detergent (CHEBI:27780)
1,2-diheptanoyl-sn-glycero-3-phosphocholine (CHEBI:138195) is a phosphatidylcholine 14:0 (CHEBI:137852)
IUPAC Name 
(2R)-2,3-bis(heptanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(7:0/7:0)SUBMITTER
phosphatidylcholine (7:0/7:0)ChEBI
L-alpha-DiheptanoylphosphatidylcholineChemIDplus
L-alpha-DiheptanoyllecithinChemIDplus
alpha-L-DiheptanoylphosphatidylcholineChemIDplus
DiheptanoyllecithinChemIDplus
UniProt Name  Source
1,2-diheptanoyl-sn-glycero-3-phosphocholineUniProt
Registry NumbersSources
Reaxys:1917581Reaxys
CAS:39036-04-9ChemIDplus
Citations