3beta-hydroxy-7-oxo-5beta-cholan-24-oic acid (Q27156200)

3beta-Hydroxy-7-oxo-5beta-cholan-24-oic Acid (English)

3beta-hydroxy-7-oxo-5alpha-cholan-24-oic acid

9 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₄H₃₈O₄

1 reference

3beta-Hydroxy-7-oxo-5beta-cholan-24-oic Acid (English)

9 October 2016

canonical SMILES

CC(CCC(=O)O)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(C4)O)C)C

1 reference

3beta-Hydroxy-7-oxo-5beta-cholan-24-oic Acid (English)

9 October 2016

isomeric SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@@H](C4)O)C)C

1 reference

3beta-Hydroxy-7-oxo-5beta-cholan-24-oic Acid (English)

InChI=1S/C24H38O4/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/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,22+,23+,24-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

3beta-Hydroxy-7-oxo-5beta-cholan-24-oic Acid (English)

DXOCDBGWDZAYRQ-QCXZXCEPSA-N

9 October 2016

InChIKey

2 references

3beta-Hydroxy-7-oxo-5beta-cholan-24-oic Acid (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3beta,5beta)-3-Hydroxy-7-oxocholan-24-oic acid (English)

9 October 2016

2 references

3beta-Hydroxy-7-oxo-5beta-cholan-24-oic Acid (English)

matched by identifier from

9 October 2016

InChIKey

DXOCDBGWDZAYRQ-QCXZXCEPSA-N

Reaxys registry number

3222784

1 reference

3beta-hydroxy-7-oxo-5beta-cholan-24-oic acid (English)

9 October 2016

ChEBI ID

82678

mapping relation type

2 references

3beta-hydroxy-7-oxo-5beta-cholan-24-oic acid (English)