EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:140062 - diheptanoyl sn-dithiophosphatidylcholine

ChEBI IDCHEBI:140062
ChEBI Namediheptanoyl sn-dithiophosphatidylcholine
Stars
ASCII Namediheptanoyl sn-dithiophosphatidylcholine
DefinitionA dithiophosphatidylcholine that is sn-dithiophosphatidylcholine in which the acyl substituents at S-1 and S-2 are both heptanoyl.
Last Modified8 February 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H45NO6PS2
Net Charge+1
Average Mass514.711
Monoisotopic Mass514.24204
SMILESCCCCCCC(=O)SC[C@H](COP(=O)(O)OCC[N+](C)(C)C)SC(=O)CCCCCC
InChIInChI=1S/C22H44NO6PS2/c1-6-8-10-12-14-21(24)31-19-20(32-22(25)15-13-11-9-7-2)18-29-30(26,27)28-17-16-23(3,4)5/h20H,6-19H2,1-5H3/p+1/t20-/m0/s1
InChIKeyLFFIJRJGKBSELO-FQEVSTJZSA-O
ChEBI Ontology
Outgoing Relation(s)
diheptanoyl sn-dithiophosphatidylcholine (CHEBI:140062) is a dithiophosphatidylcholine (CHEBI:140067)
IUPAC Name 
(7S)-7-(heptanoylsulfanyl)-4-hydroxy-N,N,N-trimethyl-4,10-dioxo-3,5-dioxa-9-thia-4λ5-phosphahexadecan-1-aminium
Synonyms  Source
1,2-diheptanoyl-1,2-dithio-sn-glycero-3-phosphocholineChEBI
1,2-diheptanoyl 1,2-dithiophosphatidylcholineChEBI
1,2-diheptanoyl-sn-1,2-dithioglycero-3-phosphocholineChEBI
diheptanoyl thio-PCChEBI
Citations