CHOLEST-5-EN-3-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H44O
Molecular Weight	384.6377
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C

InChI

InChIKey=GGCLNOIGPMGLDB-GYKMGIIDSA-N

InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,22-25H,6-8,10-17H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H44O
Molecular Weight	384.6377
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
GO:0016995 cholesterol oxidase activity 1 Target ID: GO:0016995 cholesterol oxidase activity Sources: https://www.ncbi.nlm.nih.gov/pubmed/19843167 \| https://www.ncbi.nlm.nih.gov/pubmed/10447682 \| https://www.ncbi.nlm.nih.gov/pubmed/8431456	Substrate 661

PubMed

Title	Date	PubMed
Oxidation/isomerization of 5-cholesten-3 beta-ol and 5-cholesten-3-one to 4-cholesten-3-one in pure sterol and mixed phospholipid-containing monolayers by cholesterol oxidase.	1993 Feb 9	8431456
Kinetic mechanisms of cholesterol oxidase from Streptomyces hygroscopicus and Brevibacterium sterolicum.	1999 Aug	10447682
Cholesterol oxidase: biotechnological applications.	2009 Dec	19843167

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:39:32 GMT 2023` Edited by `admin` on `Sat Dec 16 12:39:32 GMT 2023`
Record UNII	58D45D7T5H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHOLEST-5-EN-3-ONE

Systematic Name

English

3-KETOCHOLESTEROL

Common Name

English

3-OXOCHOLEST-5-ENE

Systematic Name

English

.DELTA.5-CHOLESTEN-3-ONE

Common Name

English

5-CHOLESTENONE

Systematic Name

English

NSC-118979

Code

English

5-CHOLESTEN-3-ONE

Systematic Name

English

.DELTA.5-CHOLESTERONE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40208841