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3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylate

Go to external page http://purl.obolibrary.org/obo/CHEBI_87055

A steroid acid anion that is the conjugate base of 3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

Term info

Label

3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylate

Synonyms
  • (3beta,4alpha,5alpha)-3-hydroxycholest-8-ene-4-carboxylate
database cross reference
Subsets

3_STAR

IUPAC NAME
(3beta,4alpha,5alpha)-3-hydroxycholest-8-ene-4-carboxylate [ IUPAC ]

charge

-1

formula

C28H45O3

has obo namespace

chebi_ontology

has related synonym

4alpha-carboxy-5alpha-cholest-8-en-3beta-ol(1-), 4alpha-carboxy-5alpha-cholest-8-ene-3beta-ol

id

CHEBI:87055

inchi

InChI=1S/C28H46O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h17-18,20-21,23-25,29H,6-16H2,1-5H3,(H,30,31)/p-1/t18-,20-,21+,23+,24+,25+,27-,28-/m1/s1

inchikey

RODBXVVNKJCWQR-GSQAGGHASA-M

mass

429.65560

monoisotopicmass

429.33742

smiles

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@H]([C@@H]1CC3)C([O-])=O