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CHEBI:138214 - 1-octadecanoyl-2-nonanoyl-sn-glycero-3-phosphocholine

Default Structure
ChEBI IDCHEBI:138214
ChEBI Name1-octadecanoyl-2-nonanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-octadecanoyl-2-nonanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 27:0 in which the acyl groups at positions 1 and 2 are specified as octadecanoyl and nonanoyl respectively.
Last Modified2 November 2017
Submitterlaimo
DownloadsMolfile
FormulaC35H70NO8P
Net Charge0
Average Mass663.918
Monoisotopic Mass663.48390
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC
InChIInChI=1S/C35H70NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-24-25-27-34(37)41-31-33(44-35(38)28-26-23-13-11-9-7-2)32-43-45(39,40)42-30-29-36(3,4)5/h33H,6-32H2,1-5H3/t33-/m1/s1
InChIKeyCLUNFPZKGTYNMF-MGBGTMOVSA-N
ChEBI Ontology
Outgoing Relation(s)
1-octadecanoyl-2-nonanoyl-sn-glycero-3-phosphocholine (CHEBI:138214) has functional parent nonanoic acid (CHEBI:29019)
1-octadecanoyl-2-nonanoyl-sn-glycero-3-phosphocholine (CHEBI:138214) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-nonanoyl-sn-glycero-3-phosphocholine (CHEBI:138214) is a phosphatidylcholine 27:0 (CHEBI:137595)
IUPAC Name 
(2R)-2-(nonanoyloxy)-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-stearoyl-2-nonanoyl-sn-glycero-3-phosphocholine zwitterionChEBI
PC(18:0/9:0)SUBMITTER
phosphatidylcholine 18:0/9:0ChEBI
UniProt Name  Source
1-octadecanoyl-2-nonanoyl-sn-glycero-3-phosphocholineUniProt
Citations