12-KETOCHENODEOXYCHOLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H38O5
Molecular Weight	406.5555
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 12-KETOCHENODEOXYCHOLIC ACID

Structure Search

SMILES

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

InChI

InChIKey=MIHNUBCEFJLAGN-DMMBONCOSA-N

InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,22+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H38O5
Molecular Weight	406.5555
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Identification of short side chain bile acids in urine of patients with cerebrotendinous xanthomatosis.	1990-10	2079611

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:14:44 GMT 2025` Edited by `admin` on `Mon Mar 31 19:14:44 GMT 2025`
Record UNII	3MKE33N44O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

12-KETO-CHENODEOXYCHOLIC ACID

Preferred Name

English

12-KETOCHENODEOXYCHOLIC ACID

Common Name

English

CHOLAN-24-OIC ACID, 3,7-DIHYDROXY-12-OXO-, (3.ALPHA.,5.BETA.,7.ALPHA.)-

Systematic Name

English

3.ALPHA.,7.ALPHA.-DIHYDROXY-12-OXO-5.BETA.-CHOLANOIC ACID

Systematic Name

English

12-OXOCHENODEOXYCHOLIC ACID

Common Name

English

12-KETOCHOLIC ACID

Common Name

English

3.ALPHA.,7.ALPHA.-DIHYDROXY-12-OXO-5.BETA.-CHOLAN-24-OIC ACID

Systematic Name

English

3.ALPHA.,7.ALPHA.-DIHYDROXY-12-OXOCHOLIC ACID

Common Name

English

5.BETA.-CHOLAN-24-OIC ACID, 3.ALPHA.,7.ALPHA.-DIHYDROXY-12-OXO-

Systematic Name

English

12-OXOCHOLIC ACID

Common Name

English

5.BETA.-CHOLANIC ACID, 3.ALPHA.,7.ALPHA.-DIHYDROXY-12-OXO-

Systematic Name

English

12-KETO-3.ALPHA.,7.ALPHA.-DIHYDROXY-5.BETA.-CHOLANIC ACID

Systematic Name

English

5.BETA.-CHOLANIC ACID-3.ALPHA.,7.ALPHA.-DIOL-12-ONE

Common Name

English

3.ALPHA.,7.ALPHA.-DIHYDROXY-12-KETO-5.BETA.-CHOLANIC ACID

Systematic Name

English

12-OXO-3.ALPHA.,7.ALPHA.-DIHYDROXY-5.BETA.-CHOLAN-24-OIC ACID

Systematic Name

English

3.ALPHA.,7.ALPHA.-DIHYDROXY-12-KETOCHOLANIC ACID

Systematic Name

English

3.ALPHA.,7.ALPHA.-DIHYDROXY-12-OXO-5.BETA.-CHOLANIC ACID

Systematic Name

English

3.ALPHA.,7.ALPHA.-DIHYDROXY-12-KETOCHOLIC ACID

Common Name

English

Code System Code Type Description

FDA UNII

3MKE33N44O