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CHEBI:44936 - 1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE

Default Structure
ChEBI IDCHEBI:44936
ChEBI Name1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC18H36NO6PS2
Net Charge0
Average Mass457.595
Monoisotopic Mass457.17217
SMILES[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])[H])C([H])([H])O[P@@](=S)([S-])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C18H36NO6PS2/c1-6-8-10-17(20)22-14-16(25-18(21)11-9-7-2)15-24-26(27,28)23-13-12-19(3,4)5/h16H,6-15H2,1-5H3/t16-/m1/s1
InChIKeyWEXRBKRFCBLWEL-MRXNPFEDSA-N
ChEBI Ontology
Outgoing Relation(s)
1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE (CHEBI:44936) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINEPDBeChem
O-[(2R)-2,3-bis(pentanoyloxy)propyl] O-[2-(trimethylammonio)ethyl] dithiophosphatePDBeChem
Manual XrefsDatabases
PC5PDBeChem