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5255-17-4,MFCD00069468
Catalog No.:AA003IWB
5255-17-4 | 3BETA-HYDROXY-DELTA5-CHOLENIC ACID
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10mg
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1 week  
$146.00   $102.00
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50mg
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$289.00   $202.00
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Technical Information
Catalog Number:
AA003IWB
Chemical Name:
3BETA-HYDROXY-DELTA5-CHOLENIC ACID
CAS Number:
5255-17-4
Molecular Formula:
C24H38O3
Molecular Weight:
374.5567
MDL Number:
MFCD00069468
IUPAC Name:
(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChI:
InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17+,18+,19-,20+,21+,23+,24-/m1/s1
InChI Key:
HIAJCGFYHIANNA-QIZZZRFXSA-N
SMILES:
O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCC(=O)O)C)C)C1)C
Properties
Computed Properties
 
Complexity:
625  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
374.282g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
374.565g/mol
Monoisotopic Mass:
374.282g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  

Synonyms
 
3 beta-hydroxy-5-cholenic acid 
3 beta-hydroxy-5-cholenoic acid 
3beta-Hydroxy-5-cholenic acid 
3beta-Hydroxychol-5-en-24-oic acid 
3beta-Hydroxy-chol-5-en-24-oic Acid 
CHEBI:89234 
MFCD00069468 
Chol-5-en-24-oic acid, 3-hydroxy-, (3b)- 
3beta-Hydroxy-chol-5-en-24-oate 
5-Cholenic acid-3beta-ol 
Cholenate 
D5-Cholenate 
3 beta-hydroxy-delta 5-cholenic acid 
D5-Cholenic acid 
3b-Hydroxycholenoate 
3b-Hydroxycholenoic acid 
AC1Q5VEO 
3b-Hydroxy-5-cholenoate 
3b-Hydroxychol-5-enoate 
3beta-Hydroxy-5-cholenoate 
AC1L3P9Y 
3b-Hydroxychol-5-enoic acid 
5-Cholenic acid-3.beta.-ol 
3 beta-hydroxy-delta 5-cholenic acid, sodium salt 
Chol-5-en-24-oic acid, 3-hydroxy-, (3.beta.)- 
3b-Hydroxychol-5-en-24-ate 
3b-Hydroxychol-5-en-24-oate 
CHEMBL169264 
SCHEMBL1219702 
3b-hydroxy-chol-5-en-24-oate 
BDBM20190 
CTK8D4903 
3beta-Hydroxychol-5-en-24-oate 
HIAJCGFYHIANNA-QIZZZRFXSA-N 
3beta-hydroxy-delta5-cholenic acid 
3b-Hydroxychol-5-en-24-ic acid 
3-.beta.-Hydroxy-5-cholenic acid 
3b-Hydroxychol-5-en-24-oic acid 
ZINC6036223 
3b-hydroxy-chol-5-en-24-oic acid 
LMST04010201 
3Beta-hydroxy-5-cholen-24-oic acid 
AKOS028108984 
3-Beta-hydroxy-delta-(5)-cholenic acid 
3.beta.-Hydroxy-5-cholen-24-oic acid 
3b-hydroxy-5-cholenoic acid 
HY-113315 
CS-0059579 
C-52988 
(4R)-4-[(1S,2R,5S,10S,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadec-7-en-14-yl]pentanoic acid 
(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid 
(R)-4-((3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 
3-Beta-hydroxycholenic acid 
3 beta-hydroxy-5-cholenic acid 
3 beta-hydroxy-5-cholenoic acid 
CID92997 
3beta-Hydroxy-delta5-cholenic acid 
AR-1F2144 
3 beta-hydroxy-delta 5-cholenic acid 
3 beta-hydroxychol-5-en-24-oic acid 
H0521 
3 beta-hydroxy-delta 5-cholenic acid, sodium salt 
C014596 
5349-80-4 
5255-17-4 
Cholenic acid 
3beta-Hydroxy-5-cholenoic acid 
Literature

Title: Identification of small-molecule inhibitors of the steroidogenic acute regulatory protein (STARD1) by structure-based design.

Journal: Bioorganic & medicinal chemistry letters 20120615

Title: Molecular genetic and bile acid profiles in two Japanese patients with 3beta-hydroxy-DELTA5-C27-steroid dehydrogenase/isomerase deficiency.

Journal: Pediatric research 20100901

Title: Titration of bile acid supplements in 3beta-hydroxy-Delta 5-C27-steroid dehydrogenase/isomerase deficiency.

Journal: Journal of pediatric gastroenterology and nutrition 20100601

Title: Structural determinants of monohydroxylated bile acids to activate beta 1 subunit-containing BK channels.

Journal: Journal of lipid research 20081101

Title: Bioconversion of 3beta-hydroxy-5-cholenoic acid into chenodeoxycholic acid by rat brain enzyme systems.

Journal: Journal of lipid research 20040901

Title: A hydroxysteroid sulfotransferase, st2b2, is a skin cholesterol sulfotransferase in mice.

Journal: Journal of biochemistry 20020201

Title: Fetal bile acid metabolism: analysis of urinary 3beta-monohydroxy-delta(5) bile acid in preterm infants.

Journal: Biology of the neonate 20010701

Title: Pharmacophore analysis of the nuclear oxysterol receptor LXRalpha.

Journal: Journal of medicinal chemistry 20010315

Title: Clinical evaluation of serum 3 beta-hydroxy-5-cholenoic acid in hepatobiliary diseases.

Journal: Gastroenterologia Japonica 19861201

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