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3beta,7alpha-dihydroxy-5beta-cholan-24-oic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_88102

A dihydroxy-5beta-cholanic acid in which the two hydroxy groups are located at positions 3beta and 7alpha. The 3beta-hydroxy epimer of chenodeoxycholic acid.

Term info

Label

3beta,7alpha-dihydroxy-5beta-cholan-24-oic acid

Synonyms
  • 3beta,7alpha-dihydroxy-5beta-cholan-24-oic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
3beta,7alpha-dihydroxy-5beta-cholan-24-oic acid [ IUPAC ]

charge

0

formula

C24H40O4

has alternative id

CHEBI:81255

has obo namespace

chebi_ontology

has related synonym

3-epi-chenodeoxycholic acid, 3beta,7alpha-Dihydroxy-5beta-cholanic acid, (3beta,5beta,7alpha)-3,7-dihydroxycholan-24-oic acid, (3beta,5beta,7alpha)-3,7-Dihydroxycholan-24-oic acid, Isochenodeoxycholic acid, 3-epichenodeoxycholic acid, 3beta-chenodeoxycholic acid

id

CHEBI:88102

inchi

InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20-,22+,23+,24-/m1/s1

inchikey

RUDATBOHQWOJDD-JGFDLHJZSA-N

mass

392.573

monoisotopicmass

392.29266

smiles

C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)[H])C