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CHEBI:140070 - palmitoyl sn-monothiophosphatidylcholine

ChEBI IDCHEBI:140070
ChEBI Namepalmitoyl sn-monothiophosphatidylcholine
Stars
ASCII Namepalmitoyl sn-monothiophosphatidylcholine
DefinitionAn sn-monothiophosphatidylcholine in which the acyl substituents at O-1 and S-2 are both palmitoyl (hexadecanoyl); a chromogenic phospholipase A2 substrate that contains a palmitoyl thioester at the sn-2 position of the glycerol backbone.
Last Modified8 February 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC40H81NO7PS
Net Charge+1
Average Mass751.129
Monoisotopic Mass750.54659
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)SC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C40H80NO7PS/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-49(44,45)47-35-34-41(3,4)5)50-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/p+1/t38-/m1/s1
InChIKeyCJNCGLSWHABGOT-KXQOOQHDSA-O
ChEBI Ontology
Outgoing Relation(s)
palmitoyl sn-monothiophosphatidylcholine (CHEBI:140070) is a sn-monothiophosphatidylcholine (CHEBI:140066)
IUPAC Name 
(7R)-7-(hexadecanoylsulfanyl)-4-hydroxy-N,N,N-trimethyl-4,10-dioxo-3,5,9-trioxa-4λ5-phosphapentacosan-1-aminium
Synonyms  Source
1,2-bis(palmitoyl) 2-monothio-sn-glycero-3-phosphocholineChEBI
1,2-bis(hexadecanoyl) 2-monothio-sn-glycero-3-phosphocholineChEBI
palmitoyl thio-PCChEBI
Registry NumbersSources
Reaxys:4626434Reaxys
Citations