KNApSAcK Metabolite C00040805
Metabolite
KNApSAcK Entry
| id | C00040805 |
|---|---|
| Name | 25-Hydroxyvitamin D3 |
| CAS RN | 19356-17-3 |
| Standard InChI | InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 4779 |
Link
ChEMBL
| By standard InChI | CHEMBL1040 |
|---|---|
| By standard InChI Main Layer | CHEMBL15596 CHEMBL1040 CHEMBL80554 CHEMBL1222 CHEMBL1599212 |
KEGG
| By LinkDB | C01561 |
|---|
CTD
| By CAS RN | D002112 |
|---|
Species
Summary
Family
| family name | count |
|---|---|
| Solanaceae | 3 |
| Cucurbitaceae | 1 |
List (4)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Cucurbita pepo | 3663 | Cucurbitaceae | rosids | Viridiplantae |
| Lycopersicon esculentum | 4081 | Solanaceae | asterids | Viridiplantae |
| Solanum melongena | 4111 | Solanaceae | asterids | Viridiplantae |
| Solanum tuberosum | 4113 | Solanaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
7 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| Q16637 | Survival motor neuron protein | Unclassified protein | CHEMBL1599212 |
CHEMBL1613842
(1)
|
4 / 2 |
| P49798 | Regulator of G-protein signaling 4 | Unclassified protein | CHEMBL1599212 |
CHEMBL1794499
(1)
|
2 / 0 |
| P11473 | Vitamin D3 receptor | NR1I1 | CHEMBL15596 |
CHEMBL665906
(1)
|
2 / 3 |
| O75496 | Geminin | Unclassified protein | CHEMBL1040 |
CHEMBL2114843
(1)
|
0 / 0 |
| P07711 | Cathepsin L1 | C1A | CHEMBL1222 |
CHEMBL663359
(1)
|
0 / 0 |
| O94782 | Ubiquitin carboxyl-terminal hydrolase 1 | Enzyme | CHEMBL1040 |
CHEMBL1794467
(1)
|
0 / 0 |
| P10636 | Microtubule-associated protein tau | Unclassified protein | CHEMBL1599212 |
CHEMBL1614421
(1)
|
4 / 3 |
CTD interaction (6)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| D002112 | 1591 |
CYP24A1
CP24 CYP24 HCAI P450-CC24 |
cytochrome P450, family 24, subfamily A, polypeptide 1 (EC:1.14.13.126) | Calcifediol results in increased expression of CYP24A1 mRNA |
increases expression
|
mRNA |
16289102
16524720 |
| D002112 | 1591 |
CYP24A1
CP24 CYP24 HCAI P450-CC24 |
cytochrome P450, family 24, subfamily A, polypeptide 1 (EC:1.14.13.126) | Dihydrotestosterone inhibits the reaction [Calcifediol results in increased expression of CYP24A1 mRNA] |
decreases reaction
/ increases expression |
mRNA |
16524720
|
| D002112 | 1591 |
CYP24A1
CP24 CYP24 HCAI P450-CC24 |
cytochrome P450, family 24, subfamily A, polypeptide 1 (EC:1.14.13.126) | Tretinoin inhibits the reaction [Calcifediol results in increased expression of CYP24A1 mRNA] |
decreases reaction
/ increases expression |
mRNA |
16289102
|
| D002112 | 1594 |
CYP27B1
CP2B CYP1 CYP1alpha CYP27B P450c1 PDDR VDD1 VDDR VDDRI VDR |
cytochrome P450, family 27, subfamily B, polypeptide 1 (EC:1.14.13.13) | CYP27B1 protein affects the metabolism of Calcifediol |
affects metabolic processing
|
protein |
16061850
|
| D002112 | 7421 |
VDR
NR1I1 |
vitamin D (1,25- dihydroxyvitamin D3) receptor | Calcifediol results in increased activity of VDR protein |
increases activity
|
protein |
17997857
|
| D002112 | 7421 |
VDR
NR1I1 |
vitamin D (1,25- dihydroxyvitamin D3) receptor | VDR protein promotes the reaction [Calcifediol results in increased abundance of Lipids] |
increases abundance
/ increases reaction |
protein |
20079722
|
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (12)
| OMIM | preferred title | UniProt |
|---|---|---|
| #600274 | Frontotemporal dementia; ftd |
P10636
|
| #607948 | Mycobacterium tuberculosis, susceptibility to |
P11473
|
| #260540 | Parkinson-dementia syndrome |
P10636
|
| #172700 | Pick disease of brain |
P10636
|
| #604906 | Schizophrenia 9; sczd9 |
P49798
|
| #181500 | Schizophrenia; sczd |
P49798
|
| #253300 | Spinal muscular atrophy, type i; sma1 |
Q16637
|
| #253550 | Spinal muscular atrophy, type ii; sma2 |
Q16637
|
| #253400 | Spinal muscular atrophy, type iii; sma3 |
Q16637
|
| #271150 | Spinal muscular atrophy, type iv; sma4 |
Q16637
|
| #601104 | Supranuclear palsy, progressive, 1; psnp1 |
P10636
|
| #277440 | Vitamin d-dependent rickets, type 2a; vddr2a |
P11473
|
KEGG DISEASE (7)
| KEGG | disease name | UniProt |
|---|---|---|
| H00058 | Amyotrophic lateral sclerosis (ALS) |
P10636
(related)
|
| H00077 | Progressive supranuclear palsy (PSP) |
P10636
(related)
|
| H00078 | Frontotemporal lobar degeneration (FTLD) |
P10636
(related)
|
| H00342 | Tuberculosis |
P11473
(related)
|
| H00784 | Localized autosomal recessive hypotrichosis |
P11473
(related)
|
| H01143 | Vitamin D-dependent rickets |
P11473
(related)
|
| H00455 | Spinal muscular atrophy (SMA) |
Q16637
(related)
Q16637 (related) |
Diseases related to CTD interactions
5 disease from interactions of metabolites
| MeSH disease | OMIM | compound | disease name | evidence type |
reference
pmid |
|---|---|---|---|---|---|
| D006934 | D002112 | Hypercalcemia |
marker/mechanism
|
4018932
|
|
| D009135 | D002112 | Muscular Diseases |
therapeutic
|
6705322
|
|
| D010018 | D002112 | Osteomalacia |
therapeutic
|
6705322
|
|
| D011471 | D002112 | Prostatic Neoplasms |
therapeutic
|
16289102
|
|
| D012080 | D002112 | Renal Osteodystrophy |
therapeutic
|
6897822
|