Compound
pentanoate
A short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals.
Definition from ChEBI (CHEBI:31011), read 2026-09-23. CC BY 4.0.
Structure
Loading the model…
- Class
- Organic compound, anion
- Formula
- C5H9O2
- Mass
- 101.125 g/mol
- Charge
- -1
- InChIKey
- NQPDZGIKBAWPEJ-UHFFFAOYSA-M
- SMILES
- CCCCC(=O)[O-]
- Look it up
- ChEBIPubChemBy InChIKey
Identity from ChEBI, geometry from PubChem. Not evidence.
What it touches on the way
Mechanistic reach
15 entities
15 entities reached.
0 reported hops15 assembled from the scaffold
- FABP5ProteinUNIPROT:Q01469transported byInferred only101 paths93 endpoints
- CD36ProteinUNIPROT:P16671transported byInferred only82 paths77 endpoints
- SLC27A3ProteinUNIPROT:Q5K4L6transported byInferred only24 paths24 endpoints
- ACSM2BProteinUNIPROT:Q68CK6substrate ofInferred only10 paths10 endpoints
- FABP3ProteinUNIPROT:P05413transported byInferred only9 paths9 endpoints
- ACSM1ProteinUNIPROT:Q08AH1substrate ofInferred only8 paths8 endpoints
- ACSM2AProteinUNIPROT:Q08AH3substrate ofInferred only8 paths8 endpoints
- ACSM5ProteinUNIPROT:Q6NUN0substrate ofInferred only8 paths8 endpoints
- ACSM4ProteinUNIPROT:P0C7M7substrate ofInferred only8 paths8 endpoints
- ALDH9A1ProteinUNIPROT:P49189metabolized byInferred only7 paths7 endpoints
- ACSM3ProteinUNIPROT:Q53FZ2substrate ofInferred only6 paths6 endpoints
- FABP4ProteinUNIPROT:P15090transported byInferred only6 paths6 endpoints
What the reference databases state
Chemical structure
- (2R)-hydroxy-4-methylpentanoate has the functional parent pentanoateCompoundChEBI CHEBI:55535Inferred only
- (S)-3-methyl-2-oxopentanoate has the functional parent pentanoateCompoundChEBI CHEBI:35146Inferred only
- 2-oxopentanoate has the functional parent pentanoateCompoundChEBI CHEBI:28644Inferred only
- 4-methyl-2-oxopentanoate has the functional parent pentanoateCompoundChEBI CHEBI:17865Inferred only
- 5-oxopentanoate has the functional parent pentanoateCompoundChEBI CHEBI:16120Inferred only
- acetylpyruvate has the functional parent pentanoateCompoundChEBI CHEBI:15360Inferred only
Statements
28 statements
28 statements · 2 reference databases · Subject: pentanoate · Sources: Human-GEM, Rhea
- pentanal is converted to pentanoateCompoundRhea RHEA:76663Inferred only
- pentanoate is converted to pentanalCompoundRhea RHEA:68920Inferred only
- pentanoate is converted to pentanalCompoundRhea RHEA:69092Inferred only
- pentanoate is converted to pentanalCompoundRhea RHEA:76663Inferred only
- pentanal is converted to pentanoateCompoundRhea RHEA:68920Inferred only
- pentanal is converted to pentanoateCompoundRhea RHEA:69092Inferred only
- pentanoate is metabolised by ALDH9A1ProteinRhea RHEA:69092Inferred only
- pentanoate is a substrate of ACSM1ProteinHuman-GEM MAR00165Inferred only
- pentanoate is a substrate of ACSM2AProteinHuman-GEM MAR00165Inferred only
- pentanoate is a substrate of ACSM2BProteinHuman-GEM MAR00165Inferred only
- pentanoate is a substrate of ACSM3ProteinHuman-GEM MAR00165Inferred only
- pentanoate is a substrate of ACSM4ProteinHuman-GEM MAR00165Inferred only
Show the remaining 16
- pentanoate is a substrate of ACSM5ProteinHuman-GEM MAR00165Inferred only
- pentanoate is transported by CD36ProteinHuman-GEM MAR00164Inferred only
- pentanoate is transported by FABP1ProteinHuman-GEM MAR00164Inferred only
- pentanoate is transported by FABP12ProteinHuman-GEM MAR00164Inferred only
- pentanoate is transported by FABP2ProteinHuman-GEM MAR00164Inferred only
- pentanoate is transported by FABP3ProteinHuman-GEM MAR00164Inferred only
- pentanoate is transported by FABP4ProteinHuman-GEM MAR00164Inferred only
- pentanoate is transported by FABP5ProteinHuman-GEM MAR00164Inferred only
- pentanoate is transported by FABP6ProteinHuman-GEM MAR00164Inferred only
- pentanoate is transported by FABP7ProteinHuman-GEM MAR00164Inferred only
- pentanoate is transported by FABP9ProteinHuman-GEM MAR00164Inferred only
- pentanoate is transported by SLC22A9ProteinRhea RHEA:72571Inferred only
- pentanoate is transported by SLC22A9ProteinRhea RHEA:72559Inferred only
- pentanoate is transported by SLC27A1ProteinHuman-GEM MAR00164Inferred only
- pentanoate is transported by SLC27A3ProteinHuman-GEM MAR00164Inferred only
- pentanoate is transported by SLC27A4ProteinHuman-GEM MAR00164Inferred only
Reactions
15 reactions
MAM02909e0.125butyric acid+0.125decanoate+0.125heptanoate+0.125MAM02120e+0.125nonanoate+0.125octanoate+0.125MAM03117e+0.125pentanoate
Reaction pageLeft to rightBalance undeterminableextracellular space
Human-GEM MAR00017CC BY 4.0Reference data
Transported by FABP3 or SLC27A1 or CD36 or SLC27A3 or FABP2 or FABP1 or FABP7 or FABP5 or SLC27A4 or FABP6 or FABP4 or FABP12 and 1 more alternative
Reaction pageReversibleBalancedextracellular space, cytosol
Human-GEM MAR00164CC BY 4.0Reference data
ATP+CHEBI:1146900+pentanoateAMP+MAM02694c+diphosphate(3-)
Catalysed by ACSM3 or ACSM2B or ACSM1 or ACSM5 or ACSM2A or ACSM4
Reaction pageLeft to rightBalancedEC 6.2.1.2cytosol
Human-GEM MAR00165CC BY 4.0Reference data
Reaction pageReversibleBalance undeterminableextracellular space
Human-GEM MAR09810CC BY 4.0Reference data
CHEBI:16459+waterpentanoate+ammonium
Reaction pageDirection not assertedBalanced
Rhea RHEA:10000CC BY 4.0Reference data
1-hexadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholine+waterpentanoate+1-hexadecanoyl-sn-glycero-3-phosphocholine+hydron
Catalysed by PLA2G7
Reaction pageLeft to rightBalanced
Rhea RHEA:41199CC BY 4.0Reference data
pentanoate+ATP(4-)+coenzyme A(4-)CHEBI:57389+AMP+diphosphate(3-)
Reaction pageDirection not assertedBalanced
Rhea RHEA:46168CC BY 4.0Reference data
CHEBI:50871+waterpentanoate+an aliphatic alcohol+hydron
Reaction pageDirection not assertedBalance undeterminable
Rhea RHEA:48436CC BY 4.0Reference data
1-octadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholine+waterpentanoate+1-octadecanoyl-sn-glycero-3-phosphocholine+hydron
Catalysed by ABHD3
Reaction pageLeft to rightBalanced
Rhea RHEA:54460CC BY 4.0Reference data
CHEBI:57389+waterpentanoate+coenzyme A(4-)+hydron
Reaction pageDirection not assertedBalanced
Rhea RHEA:55052CC BY 4.0Reference data
pentanoate+ATP(4-)+NADPH(4-)+hydronpentanal+AMP+diphosphate(3-)+NADP(3-)
Reaction pageDirection not assertedBalanced
Rhea RHEA:68920CC BY 4.0Reference data
pentanal+NAD(1-)+waterpentanoate+NADH(2-)+2hydron
Catalysed by ALDH9A1
Reaction pageDirection not assertedBalanced
Rhea RHEA:69092CC BY 4.0Reference data
Where it reaches
10 systems, 25 regions, 128 tissues, 169 transporter routes — routes, not measurements: transporters known to carry pentanoate are expressed there, and no source reports it arriving.
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Other names
5 names
Resolves to: pentanoate
- Also called
- CH3-[CH2]3-COO(-)CH3‒[CH2]3‒COO−n-propylacetatepentanoic acid, ion(1-)pentanoic acid, ion(1−)