Bovine Metabolome Database: Showing metabocard for 7-a,25-Dihydroxycholesterol (BMDB0006280)

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Identification Taxonomy Physical properties Pathways Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-09-30 23:21:10 UTC

Update Date

2020-04-22 15:17:10 UTC

BMDB ID

BMDB0006280

Secondary Accession Numbers

BMDB06280

Metabolite Identification

Common Name

7-a,25-Dihydroxycholesterol

Description

4-oxo-Retinoic acid, also known as 4-oxo-retinoate or 4-oxo-atra, belongs to the class of organic compounds known as retinoids. These are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. 4-oxo-Retinoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
4-oxo-all-trans-Retinoic acid	ChEBI
4-oxo-AtRA	ChEBI
4-oxo-all-trans-Retinoate	Generator
4-oxo-Retinoate	Generator
4-Keto-retinoate	HMDB
4-Keto-retinoic acid	HMDB
4-Ketoretinoate	HMDB
4-Ketoretinoic acid	HMDB
4-Oxoretinoate	HMDB
4-Oxoretinoic acid	HMDB
4-Oxotretinoin	HMDB
all-trans-4-Oxoretinoate	HMDB
all-trans-4-Oxoretinoic acid	HMDB
Ro 11-4824	HMDB
Ro 12-4824	HMDB
4-oxo-13-cis-Retinoic acid	HMDB
4-oxo-Isotretinoin	HMDB
4-oxo-trans-Retinoic acid	HMDB
4-Oxoretinoic acid, (13-cis)-isomer	HMDB
3beta,7alpha,25-Trihydroxycholest-5-ene	ChEBI
5-Cholesten-3beta,7alpha,25-triol	ChEBI
Cholest-5-ene-3beta,7alpha,25-triol	ChEBI
3b,7a,25-Trihydroxycholest-5-ene	Generator
3β,7α,25-trihydroxycholest-5-ene	Generator
5-Cholesten-3b,7a,25-triol	Generator
5-Cholesten-3β,7α,25-triol	Generator
Cholest-5-ene-3b,7a,25-triol	Generator
Cholest-5-ene-3β,7α,25-triol	Generator
7-alpha,25-Dihydroxycholesterol	HMDB
7alpha,25-Dihydroxycholesterol	HMDB, KEGG
Cholest-5-ene-3-b,7-a,25-triol	HMDB
Cholest-5-ene-3-beta,7-alpha,25-triol	HMDB
7a,25-Dihydroxycholesterol	Generator
7Α,25-dihydroxycholesterol	Generator

Chemical Formula

C₂₇H₄₆O₃

Average Molecular Weight

418.6523

Monoisotopic Molecular Weight

418.344695338

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

64907-22-8

SMILES

Not Available

InChI Identifier

InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1

InChI Key

BQMSKLCEWBSPPY-IKVTXIKFSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as retinoids. These are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Retinoids

Direct Parent

Retinoids

Alternative Parents

Substituents

Retinoic acid
Diterpenoid
Retinoid skeleton
Medium-chain fatty acid
Cyclohexenone
Methyl-branched fatty acid
Branched fatty acid
Fatty acyl
Fatty acid
Unsaturated fatty acid
Ketone
Cyclic ketone
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organooxygen compound
Organic oxide
Carbonyl group
Hydrocarbon derivative
Organic oxygen compound
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

retinoid (CHEBI:80656 )
Retinoids (C16678 )
Retinoids (LMPR01090026 )

Ontology

Status

Expected but not Quantified

Origin

Endogenous

Exogenous

Biofunction

Not Available

Application

Not Available

Cellular locations

Cell membrane
Cytoplasm
Endoplasmic reticulum
Membrane

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available