3-OXODEOXYCHOLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H38O4
Molecular Weight	390.5561
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O

InChI

InChIKey=WMUMZOAFCDOTRW-OVEHVULHSA-N

InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-15,17-21,26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,17+,18-,19+,20+,21+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H38O4
Molecular Weight	390.5561
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:21:14 GMT 2023` Edited by `admin` on `Sat Dec 16 10:21:14 GMT 2023`
Record UNII	ID36RLU01B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-OXODEOXYCHOLIC ACID

Common Name

English

12.ALPHA.-HYDROXY-3-OXO-5.BETA.-CHOLANOIC ACID

Systematic Name

English

3-OXO-12.ALPHA.-HYDROXYCHOLAN-24-OIC ACID

Systematic Name

English

3-OXO-12.ALPHA.-HYDROXY-5.BETA.-CHOLANOIC ACID

Systematic Name

English

12.ALPHA.-HYDROXY-3-OXO-5.BETA.-CHOL-24-OIC ACID

Systematic Name

English

5.BETA.-CHOLANIC ACID, 12.ALPHA.-HYDROXY-3-OXO-

Systematic Name

English

12.ALPHA.-HYDROXY-3-KETO-5.BETA.-CHOLANOIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

160738

Created by admin on Sat Dec 16 10:21:14 GMT 2023 , Edited by admin on Sat Dec 16 10:21:14 GMT 2023

PRIMARY

CHEBI

88104

Created by admin on Sat Dec 16 10:21:14 GMT 2023 , Edited by admin on Sat Dec 16 10:21:14 GMT 2023

PRIMARY

FDA UNII

ID36RLU01B

Created by admin on Sat Dec 16 10:21:14 GMT 2023 , Edited by admin on Sat Dec 16 10:21:14 GMT 2023

PRIMARY

CAS

4185-01-7

Created by admin on Sat Dec 16 10:21:14 GMT 2023 , Edited by admin on Sat Dec 16 10:21:14 GMT 2023

PRIMARY

Related Record Type Details


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DEOXYCHOLIC ACID

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Qualification:

URINE