Wikidata

(Q27104085)

English

cholate

chemical compound

  • 3alpha,7alpha,12alpha-trihydroxy-5beta-cholanate
In more languages

Statements

subclass of
cholanoid
0 references
chemical structure
Cholate.svg
805 × 445; 26 KB
0 references
mass
407.279749 dalton
1 reference
stated in
PubChem
PubChem CID
5460314
language of work or name
English
title
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate (English)
retrieved
5 October 2016
chemical formula
C₂₄H₃₉O₅⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
1 reference
stated in
PubChem
PubChem CID
5460314
language of work or name
English
title
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate (English)
retrieved
5 October 2016
isomeric SMILES
C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
1 reference
stated in
PubChem
PubChem CID
5460314
language of work or name
English
title
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate (English)
retrieved
5 October 2016

Identifiers

InChIKey
BHQCQFFYRZLCQQ-OELDTZBJSA-M
2 references
stated in
PubChem
PubChem CID
5460314
language of work or name
English
title
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate (English)
retrieved
5 October 2016
stated in
ChEBI release 2020-09-01
PubChem CID
5460314
1 reference
stated in
PubChem
PubChem CID
5460314
language of work or name
English
title
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate (English)
retrieved
5 October 2016
Reaxys registry number
3915750
1 reference
stated in
ChEBI
ChEBI ID
29747
language of work or name
English
title
cholate (English)
retrieved
5 October 2016
 
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