Compound

4-methylpentanal

CHEBI:17998ChEBI

Structure

2D depiction · 3D model shown

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A generated conformer of 4-methylpentanal — one low-energy arrangement PubChem computed, not a measured structure. Hydrogens are not drawn; the formula counts them.

Class: Organic compound
Formula: C6H12O
Mass: 100.161 g/mol
Charge: 0
InChIKey: JGEGJYXHCFUMJF-UHFFFAOYSA-N
SMILES: CC(C)CCC=O
Look it up: ChEBI PubChem By InChIKey

Identity from ChEBI, geometry from PubChem. Not evidence.

What it touches on the way

Mechanistic reach

3 entities

3 entities reached.

0 reported hops3 assembled from the scaffold

What the reference databases state

Statements

5 statements

5 statements · 2 reference databases · Subject: 4-methylpentanal · Sources: Human-GEM, Rhea

Order

4-methylpentanal is converted to 4-methylpentan-1-olCompoundHuman-GEM MAR01931Inferred only
4-methylpentanal is metabolised by CYP11A1ProteinRhea RHEA:34343Inferred only
4-methylpentanal is metabolised by CYP11A1ProteinRhea RHEA:35739Inferred only
4-methylpentanal is a substrate of AKR1B1ProteinHuman-GEM MAR01931Inferred only
4-methylpentanal is a substrate of AKR1B10ProteinHuman-GEM MAR01931Inferred only

Reactions

11 reactions

4-methylpentanal4-methylpentanal
Reaction pageReversibleBalancedGO:0005829, GO:0005783
Human-GEM MAR00049CC BY 4.0Reference data
(20R,22R)-20,22-dihydroxycholesterol+proton+NADPH(4-)+dioxygen2water+4-methylpentanal+NADP(3-)+pregnenolone
Catalysed by CYP11A1
Reaction pageLeft to rightBalancedEC 1.14.15.16GO:0005759
Human-GEM MAR01929CC BY 4.0Reference data
4-methylpentanal4-methylpentanal
Reaction pageLeft to rightBalancedGO:0005759, GO:0005829
Human-GEM MAR01930CC BY 4.0Reference data
proton+4-methylpentanal+NADPH(4-)4-methylpentan-1-ol+NADP(3-)
Catalysed by AKR1B1 or AKR1B10
Reaction pageLeft to rightBalancedEC 1.1.1.21GO:0005829
Human-GEM MAR01931CC BY 4.0Reference data
(20R)-17alpha,20-dihydroxycholesterol+4proton+2dioxygen+4reduced adrenodoxin17alpha-hydroxypregnenolone+3water+4-methylpentanal+4MAM02663c
Catalysed by CYP11A1
Reaction pageLeft to rightBalance undeterminableEC 1.14.15.6GO:0005829
Human-GEM MAR01934CC BY 4.0Reference data
CHEBI:1307929+proton+NADPH(4-)+2dioxygen2water+4-methylpentanal+NADP(3-)+pregnenolone
Catalysed by CYP11A1
Reaction pageLeft to rightBalancedEC 1.14.15.6GO:0005759
Human-GEM MAR07935CC BY 4.0Reference data
4-methylpentanal4-methylpentanal
Reaction pageReversibleBalancedGO:0005829, GO:0005615
Human-GEM MAR08100CC BY 4.0Reference data
4-methylpentanal
Reaction pageReversibleBalance undeterminableGO:0005615
Human-GEM MAR09225CC BY 4.0Reference data
(20R,22R)-20,22-dihydroxycholesterol+2reduced [adrenodoxin]+dioxygen+2hydron4-methylpentanal+pregnenolone+2oxidized [adrenodoxin]+2water
Catalysed by CYP11A1
Reaction pageLeft to rightBalance undeterminable
Rhea RHEA:34343CC BY 4.0Reference data
6reduced [adrenodoxin]+cholesterol+3dioxygen+6hydron4-methylpentanal+pregnenolone+6oxidized [adrenodoxin]+4water
Catalysed by CYP11A1
Reaction pageLeft to rightBalance undeterminable
Rhea RHEA:35739CC BY 4.0Reference data
4-methylpentan-1-ol+NADP(3-)4-methylpentanal+NADPH(4-)+hydron
Catalysed by AKR1B10
Reaction pageDirection not assertedBalance undeterminable
Rhea RHEA:58436CC BY 4.0Reference data

Other names

3 names

Resolves to: 4-methylpentanal

Also called: 4-Methyl valeraldehydeIsocaproaldehydeIsohexanal