Glycocholic Acid

Glycocholic Acid bmse000651 - Data

Glycocholic_acid synonyms

N-choloylglycine; N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycine; N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine; Glycocholic acid; 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine; Glycocholic Acid

Wikipedia:

Graphical representations:

glycocholic_acid

View large 3D structure

Molecular Formula: C26H43NO6

Natural Isotopic Abundance Mass: 465.62272

Mono-Isotopic Molecular Masses:

  • C12N14: 465.3090381181
  • C13N14: 491.3962639009
  • C12N15: 466.3060730113
  • C13N15: 492.3932987941

InChI string: InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1

PubChem Compound (CID): 10140
CAS Registry number: 475-31-0
ChEBI: CHEBI:17687
LipidMAPS: LMST05030001
MLSMR: MLS002153857
MMCD: cq_01228
MDL: MFCD00065902
PDB Compound ID: GCH

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)