Details of Metabolite

General Information of MET (ID: META00376)
Name Octanal
Synonyms   Click to Show/Hide Synonyms of This Metabolite
1-Caprylaldehyde; 1-Octaldehyde; 1-Octanal; 1-Octylaldehyde; Aldehyde C-8; Aldehyde C8; Antifoam-LF; C-8 Aldehyde; Caprylaldehyd; Caprylaldehyde; Caprylic aldehyde; Kaprylaldehyd; N-Caprylaldehyde; N-Octaldehyde; N-Octanal; N-Octyl aldehyde; N-Octylal; Octaldehyde; Octan-1-al; Octanal; Octanaldehyde; Octanoic aldehyde; Octylaldehyd; Octylaldehyde; Oktanal; Oktylaldehyd
Source Aliphatic acyclic compounds
Structure Type   Carbonyl compounds  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organic oxygen compounds
Organooxygen compounds
Carbonyl compounds
PubChem CID
454
HMDB ID
HMDB0001140
Formula
C8H16O
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
KEGG ID
C01545
ChEBI ID
17935
FooDB ID
FDB003339
ChemSpider ID
441
METLIN ID
6033
Physicochemical Properties Molecular Weight 128.21 Topological Polar Surface Area 17.1
XlogP 2.7 Complexity 59.6
Heavy Atom Count 9 Rotatable Bond Count 6
Hydrogen Bond Donor Count N.A. Hydrogen Bond Acceptor Count 1
Function
Octanal is a substrate for Fatty aldehyde dehydrogenase and Alcohol dehydrogenase.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Transferases (EC 2)
            Succinate-hydroxymethylglutarate CoA-transferase (SUGCT) Click to Show/Hide the Full List of Regulating Pair(s):   1 Pair(s)
               Detailed Information Protein   Info click to show the details of this protein
               Regulating Pair Experim Info click to show the details of experiment for validating this pair [1]
                      Introduced Variation Knockout of Sugct
                      Induced Change Octanal concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Diabetes mellitus [ICD-11: 5A14]
                      Details It is reported that knockout of Sugct leads to the increase of octanal levels compared with control group.
References
1 Knockout of the non-essential gene SUGCT creates diet-linked, age-related microbiome disbalance with a diabetes-like metabolic syndrome phenotype. Cell Mol Life Sci. 2020 Sep;77(17):3423-3439.

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