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CHEBI:40007 - (3S)-3,4-DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE

Default Structure
ChEBI IDCHEBI:40007
ChEBI Name(3S)-3,4-DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC21H42NO7P
Net Charge0
Average Mass451.541
Monoisotopic Mass451.26989
SMILES[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])[C@@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[P@@](=O)([O-])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C21H42NO7P/c1-6-8-10-12-20(23)27-18-19(29-21(24)13-11-9-7-2)14-17-30(25,26)28-16-15-22(3,4)5/h19H,6-18H2,1-5H3/t19-/m0/s1
InChIKeyBRTDPJPTKQNAET-IBGZPJMESA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-3,4-DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE (CHEBI:40007) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-(trimethylammonio)ethyl [(3S)-3,4-bis(hexanoyloxy)butyl]phosphonatePDBeChem
(3S)-3,4-DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINEPDBeChem
Manual XrefsDatabases
3PCPDBeChem