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CHEBI:1019 - N-(2-phosphonoethyl)cholamide

ChEBI IDCHEBI:1019
ChEBI NameN-(2-phosphonoethyl)cholamide
Stars
ASCII NameN-(2-phosphonoethyl)cholamide
DefinitionThe N-(2-phosphoethyl0amide of cholic acid.
Last Modified3 August 2014
DownloadsMolfile
FormulaC26H46NO7P
Net Charge0
Average Mass515.628
Monoisotopic Mass515.30119
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)NCCP(=O)(O)O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C26H46NO7P/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H2,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
InChIKeyBGUPNWPPECTFDP-HZAMXZRMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-phosphonoethyl)cholamide (CHEBI:1019) has functional parent (2-aminoethyl)phosphonic acid (CHEBI:15573)
N-(2-phosphonoethyl)cholamide (CHEBI:1019) has functional parent cholic acid (CHEBI:16359)
N-(2-phosphonoethyl)cholamide (CHEBI:1019) is a monocarboxylic acid amide (CHEBI:29347)
IUPAC Name 
{2-[(3α,7,12α-trihydroxy-24-oxo-5β-cholan-24-yl)amino]ethyl}phosphonic acid
Synonyms  Source
2-AminoethylphosphocholateKEGG COMPOUND
Ciliatocholic acidChemIDplus
Manual XrefsDatabases
C05683KEGG COMPOUND
Registry NumbersSources
CAS:13222-48-5ChemIDplus