Showing entry for (S)-(+)-1,3-Butanediol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0053561
Compound Name(S)-(+)-1,3-Butanediol
Structure
FormulaC4H10O2
InchiKeyPUPZLCDOIYMWBV-BYPYZUCNSA-N
SMILESOCC[C@@H](O)C
InchiInChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1
IUPAC(3S)-butane-1,3-diol
Molecular Weight90.07
Pubchem Id446973
Chembl IdCHEMBL1231501
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB BU2
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
O26232 BXGT004271 Orotidine 5'-phosphate decarboxylase reviewed pyrF - - - - -
Q978J0 BXGT019785 Putative ankyrin repeat protein TV1425 reviewed TV1425 - - - - -
Q50EL0 BXGT014941 Tryptophan dimethylallyltransferase reviewed dmaW - - - - -
O80992 BXGT005203 Abscisic acid receptor PYL2 reviewed PYL2 - - - - -
B7JBP8 BXGT002253 Sulfide-quinone reductase reviewed AFE_1792 - - - - -
D0FZX2 BXGT002685 Thiol:disulfide interchange protein unreviewed dsbC - - - - -
Q5ZVH3 BXGT015939 Dephospho-CoA kinase reviewed coaE - - - - -
P54764 BXGT011078 Ephrin type-A receptor 4 reviewed EPHA4 Kinase - - - -
P0A6L0 BXGT007062 Deoxyribose-phosphate aldolase reviewed deoC - - - - -
E1XUJ2 BXGT003081 Linalool dehydratase/isomerase reviewed ldi - - - - -
Q9C9C9 BXGT020225 Cytosolic sulfotransferase 18 reviewed SOT18 - - - - -
Q9NXA8 BXGT021245 NAD-dependent protein deacylase sirtuin-5, mitochondrial reviewed SIRT5 Epigenetic regulator - - - -
Q53W80 BXGT026058 Sugar ABC transporter, periplasmic sugar-binding protein unreviewed TTHB082 - - - - -
Binding DB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
CHEMBL CHEMBL1231501
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00082 Fennel Foeniculum vulgare Herbs and Spices
BXGF01185 Aloe vera Aloe vera Medicinal Plant
BXGF01900 Aloe ferox Aloe ferox Medicinal Plant
BXGF02792 Ligusticum sinense Ligusticum sinense Medicinal Plant
BXGF03379 Cnidium officinale Cnidium officinale Medicinal Plant
BXGF04631 Aloe spicata Aloe spicata Medicinal Plant
BXGF04926 Aloe africana Aloe africana Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease