KNApSAcK Metabolite C00007414
Metabolite
KNApSAcK Entry
| id | C00007414 |
|---|---|
| Name | 2-Ethylhexanoic acid |
| CAS RN | 149-57-5 |
| Standard InChI | InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) |
| Standard InChI (Main Layer) | InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 5837 |
Link
ChEMBL
| By standard InChI | CHEMBL1162485 |
|---|---|
| By standard InChI Main Layer | CHEMBL1162485 CHEMBL1162486 CHEMBL1162487 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C040668 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Brassicaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Arabidopsis thaliana | 3702 | Brassicaceae | rosids | Viridiplantae |
Human Protein / Gene in interaction
4 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P00918 | Carbonic anhydrase 2 | Lyase | CHEMBL1162485 |
CHEMBL1762939
(1)
|
1 / 2 |
| P00915 | Carbonic anhydrase 1 | Lyase | CHEMBL1162485 |
CHEMBL1762938
(1)
|
0 / 0 |
| P28482 | Mitogen-activated protein kinase 1 | Erk | CHEMBL1162485 |
CHEMBL1613808
(1)
|
0 / 0 |
| P10275 | Androgen receptor | NR3C4 | CHEMBL1162485 |
CHEMBL1794321
(1)
|
3 / 4 |
CTD interaction (1)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| C040668 | 5465 |
PPARA
NR1C1 PPAR PPARalpha hPPAR |
peroxisome proliferator-activated receptor alpha | 2-ethylhexanoic acid results in increased activity of PPARA protein |
increases activity
|
protein |
10581215
|
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (4)
| OMIM | preferred title | UniProt |
|---|---|---|
| #300068 | Androgen insensitivity syndrome; ais |
P10275
|
| #312300 | Androgen insensitivity, partial; pais |
P10275
|
| #259730 | Osteopetrosis, autosomal recessive 3; optb3 |
P00918
|
| #313200 | Spinal and bulbar muscular atrophy, x-linked 1; smax1 |
P10275
|
KEGG DISEASE (6)
| KEGG | disease name | UniProt |
|---|---|---|
| H00241 | Combined proximal and distal renal tubular acidosis (RTA type 3) |
P00918
(related)
|
| H00436 | Osteopetrosis |
P00918
(related)
|
| H00024 | Prostate cancer |
P10275
(related)
|
| H00062 | Spinal and bulbar muscular atrophy (SBMA) |
P10275
(related)
|
| H00608 | 46,XY disorders of sex development (Disorders in androgen synthesis or action) |
P10275
(related)
|
| H00609 | 46,XY disorders of sex development (Other) |
P10275
(related)
|
Diseases related to CTD interactions
6 disease from interactions of metabolites
| MeSH disease | OMIM | compound | disease name | evidence type |
reference
pmid |
|---|---|---|---|---|---|
| D000014 | C040668 | Abnormalities, Drug-Induced |
marker/mechanism
|
15901671
|
|
| D000015 | C040668 | Abnormalities, Multiple |
marker/mechanism
|
15901671
|
|
| D004677 | C040668 | Encephalocele |
marker/mechanism
|
9585088
|
|
| D005317 | C040668 | Fetal Growth Retardation |
marker/mechanism
|
9585088
|
|
| D010490 | C040668 | Pericardial Effusion |
marker/mechanism
|
15901671
|
|
| D049188 | C040668 | Prenatal Injuries |
marker/mechanism
|
15901671
|