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CHEBI:28781 - 1-S-hexadecyl-2-O-[hexadecyl(hydroxy)phosphoryl]-1-thio-sn-glycero-3-phosphocholine

Default Structure
ChEBI IDCHEBI:28781
ChEBI Name1-S-hexadecyl-2-O-[hexadecyl(hydroxy)phosphoryl]-1-thio-sn-glycero-3-phosphocholine
Stars
ASCII Name1-S-hexadecyl-2-O-[hexadecyl(hydroxy)phosphoryl]-1-thio-sn-glycero-3-phosphocholine
DefinitionA 1-thio-sn-glycero-3-phosphocholine compound having 1-S-hexadecyl- and 2-O-hexadecylphosphono substituents.
Secondary ChEBI IDsCHEBI:628, CHEBI:19045
Last Modified11 May 2018
DownloadsMolfile
FormulaC40H86NO7P2S
Net Charge+1
Average Mass787.143
Monoisotopic Mass786.55947
SMILESCCCCCCCCCCCCCCCCSC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OP(=O)(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C40H85NO7P2S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-49(42,43)48-40(38-47-50(44,45)46-35-34-41(3,4)5)39-51-37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3,(H-,42,43,44,45)/p+1/t40-/m0/s1
InChIKeyQPCQVOLQSLKQHW-FAIXQHPJSA-O
ChEBI Ontology
Outgoing Relation(s)
1-S-hexadecyl-2-O-[hexadecyl(hydroxy)phosphoryl]-1-thio-sn-glycero-3-phosphocholine (CHEBI:28781) is a 1-thio-sn-glycero-3-phosphocholine (CHEBI:36701)
1-S-hexadecyl-2-O-[hexadecyl(hydroxy)phosphoryl]-1-thio-sn-glycero-3-phosphocholine (CHEBI:28781) is a organic sulfide (CHEBI:16385)
IUPAC Name 
(7S)-7-[(hexadecylsulfanyl)methyl]-4,9-dihydroxy-N,N,N-trimethyl-3,5,8-trioxa-4,9-diphosphapentacosan-1-aminium 4,9-dioxide
Synonym  Source
1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholineKEGG COMPOUND
Manual XrefsDatabases
C04862KEGG COMPOUND