Terminology Service for NFDI4Health
JSON

N-(2-phosphonoethyl)cholamide

Go to external page http://purl.obolibrary.org/obo/CHEBI_1019

The N-(2-phosphoethyl0amide of cholic acid.

Term info

Label

N-(2-phosphonoethyl)cholamide

Synonyms
  • {2-[(3alpha,7,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethyl}phosphonic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
{2-[(3alpha,7,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethyl}phosphonic acid [ IUPAC ]

charge

0

formula

C26H46NO7P

has obo namespace

chebi_ontology

has related synonym

Ciliatocholic acid, 2-Aminoethylphosphocholate

id

CHEBI:1019

inchi

InChI=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

inchikey

BGUPNWPPECTFDP-HZAMXZRMSA-N

mass

515.61970

monoisotopicmass

515.30119

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@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCP(O)(O)=O