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Substance
ID:1820647
Structure
Similarity
Functional Group
Text
ID:131722
3-oxo-5beta-cholanic acid
Chemical Entities of Biological Interest
ID: CHEBI:17639
Names and Identifiers
Synonyms
3-oxo-5beta-cholanic acid
3-Oxo-5beta-cholanate
3-ketolithocholic acid
3-oxocholan-24-oic acid
IUPAC name
(4R)-4-[(1R,3aS,3bR,5aR,9aS,9bS,11aR)-9a,11a-dimethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
IUPAC Traditional name
dehydrolithocholic acid
Registration numbers
CAS Number
1553-56-6
PubChem CID
5283906
KEGG ID
C03070
LIPID MAPS Instance
LMST04010127
BKMS React Database
57035
91989
114925
176132
104871
9044
13681
22251
103824
12451
175322
92457
169977
218287
29505
BRENDA Database
1.1.1.21
2.8.2.14
2.8.2.34
1.1.1.1
1.1.1.50
1.1.1.52
3.5.1.24
1.1.1.112
1.1.1.239
1.1.1.270
1.1.1.391
1.3.99.4
1.3.99.6
1.1.1.392
1.1.1.393
BRENDA Ligand Database
114925
12451
104871
175322
9044
91989
92457
176132
13681
218287
169977
57035
29505
22251
103824
CHEMBL
CHEMBL410893
MetaboLights Database
MTBLS4431
MTBLS586
MTBLS547
MTBLS2825
MTBLS3854
MTBLS2224
Protein Data Bank
3w5q
SABIO-RK Database
10578
2409
3860
10110
7882
SureChEMBL Database
SCHEMBL1653934
Beilstein Number
3218542
Patent number
WO2007096431
BindingDB Database
50375581
CHEBI ID
CHEBI:17639
CHEBI:1623
CHEBI:20151
CHEBI:20152
PubChem SID
8144069
Properties
No Data Available
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Molecule Details
No Data Available
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Molecular Spectra
No Data Available
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References
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Names and Identifiers
Registration numbers
Properties
Molecule Details
Molecular Spectra
References