KNApSAcK Metabolite C00001177
Metabolite
KNApSAcK Entry
| id | C00001177 |
|---|---|
| Name | cis-Aconitic acid |
| CAS RN | 585-84-2 |
| Standard InChI | InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1- |
| Standard InChI (Main Layer) | InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 7916 |
Link
ChEMBL
| By standard InChI | CHEMBL347285 |
|---|---|
| By standard InChI Main Layer | CHEMBL347285 CHEMBL153658 |
KEGG
| By LinkDB | C00417 |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| eudicotyledons | 1 |
| rosids | 1 |
| Liliopsida | 1 |
Family
| family name | count |
|---|---|
| Ranunculaceae | 1 |
| Brassicaceae | 1 |
| Poaceae | 1 |
List (3)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Aconitum napellus | 112591 | Ranunculaceae | eudicotyledons | Viridiplantae |
| Arabidopsis thaliana | 3702 | Brassicaceae | rosids | Viridiplantae |
| Saccharum officinarum | 4547 | Poaceae | Liliopsida | Viridiplantae |
Human Protein / Gene in interaction
8 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL153658 |
CHEMBL1741321
(1)
|
1 / 0 |
| P16473 | Thyrotropin receptor | Glycohormone receptor | CHEMBL153658 |
CHEMBL1614281
(1)
CHEMBL1614361
(1)
|
3 / 2 |
| P11712 | Cytochrome P450 2C9 | Cytochrome P450 2C9 | CHEMBL153658 |
CHEMBL1741325
(1)
|
0 / 1 |
| P05177 | Cytochrome P450 1A2 | Cytochrome P450 1A2 | CHEMBL153658 |
CHEMBL1741322
(1)
|
0 / 0 |
| P33261 | Cytochrome P450 2C19 | Cytochrome P450 2C19 | CHEMBL153658 |
CHEMBL1741323
(1)
|
1 / 1 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL153658 |
CHEMBL1741324
(1)
|
0 / 1 |
| B2RXH2 | Lysine-specific demethylase 4E | Enzyme | CHEMBL153658 |
CHEMBL1613914
(1)
|
0 / 0 |
| Q9C0B1 | Alpha-ketoglutarate-dependent dioxygenase FTO | Unclassified protein | CHEMBL347285 |
CHEMBL2344107
(1)
|
1 / 2 |
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (6)
| OMIM | preferred title | UniProt |
|---|---|---|
| #609535 | Drug metabolism, poor, cyp2c19-related |
P33261
|
| #608902 | Drug metabolism, poor, cyp2d6-related |
P10635
|
| #612938 | Growth retardation, developmental delay, coarse facies, and early death; gdfd |
Q9C0B1
|
| #603373 | Hyperthyroidism, familial gestational |
P16473
|
| #609152 | Hyperthyroidism, nonautoimmune |
P16473
|
| #275200 | Hypothyroidism, congenital, nongoitrous, 1; chng1 |
P16473
|
KEGG DISEASE (7)
| KEGG | disease name | UniProt |
|---|---|---|
| H00036 | Osteosarcoma |
P08684
(marker)
|
| H01205 | Coumarin resistance |
P11712
(related)
|
| H00250 | Congenital nongoitrous hypothyroidism (CHNG) |
P16473
(related)
|
| H01269 | Congenital hyperthyroidism |
P16473
(related)
|
| H01171 | Poor drug metabolism (PM) |
P33261
(related)
|
| H00409 | Type II diabetes mellitus |
Q9C0B1
(related)
|
| H00926 | Growth retardation, developmental delay, coarse facies, and early death |
Q9C0B1
(related)
|