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CHEBI:140069 - heptanoyl sn-monothiophosphatidylcholine

ChEBI IDCHEBI:140069
ChEBI Nameheptanoyl sn-monothiophosphatidylcholine
Stars
ASCII Nameheptanoyl sn-monothiophosphatidylcholine
DefinitionAn sn-monothiophosphatidylcholine in which the acyl substituents at O-1 and S-2 are hexadecyl and hetanoyl respectively; an analogue of diheptanoyl thio-PC that contains an ether-linked saturated C16 moiety at the sn-1 position rather than a heptanoyl thiol ester.
Last Modified8 February 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC31H65NO6PS
Net Charge+1
Average Mass610.903
Monoisotopic Mass610.42647
SMILESCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)SC(=O)CCCCCC
InChIInChI=1S/C31H64NO6PS/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-23-26-36-28-30(40-31(33)24-22-11-9-7-2)29-38-39(34,35)37-27-25-32(3,4)5/h30H,6-29H2,1-5H3/p+1/t30-/m1/s1
InChIKeyHWBAKTCCNWQOTL-SSEXGKCCSA-O
ChEBI Ontology
Outgoing Relation(s)
heptanoyl sn-monothiophosphatidylcholine (CHEBI:140069) is a sn-monothiophosphatidylcholine (CHEBI:140066)
IUPAC Name 
(7R)-7-(heptanoylsulfanyl)-4-hydroxy-N,N,N-trimethyl-4-oxo-3,5,9-trioxa-4λ5-phosphapentacosan-1-aminium
Synonyms  Source
1-hexadecyl 2-heptanoyl 2-monothio-sn-glycero-3-phosphocholineChEBI
1-O-hexadecyl-2-thioheptanoyl-2-deoxy-sn-glycero-3-phosphocholineChEBI
heptanoyl thio-PCChEBI
2-heptanoyl 1-hexadecyl 2-thiophosphatidylcholineChEBI
Registry NumbersSources
Reaxys:30860767Reaxys
Citations