Showing entry for Trehalose


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0013414
Compound NameTrehalose
Structure
FormulaC12H22O11
InchiKeyHDTRYLNUVZCQOY-LIZSDCNHSA-N
SMILESOC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
InchiInChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
Molecular Weight342.12
Pubchem Id7427
Chembl IdCHEMBL1236395
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 TRE
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
Q7LYW7 BXGT017004 Trehalose/maltose-binding protein MalE reviewed malE - - - - -
P9WQP1 BXGT012506 Diacylglycerol acyltransferase/mycolyltransferase Ag85B reviewed fbpB - - - - -
P02879 BXGT005982 Ricin reviewed - - - - -
P09601 BXGT006909 Heme oxygenase 1 reviewed HMOX1 - - - - -
P84151 BXGT012047 Putative sulfotransferase unreviewed ERS451418_00652 - - - - -
Q9W7K5 BXGT021912 L-lactate dehydrogenase A chain reviewed ldha - - - - -
P74325 BXGT011734 Slr0953 protein unreviewed slr0953 - 26000000 - - -
Q9RX51 BXGT021532 Malto-oligosyltrehalose trehalohydrolase reviewed treZ - - - - -
P81460 BXGT011951 Concanavalin-A reviewed - - - - -
P24627 BXGT008981 Lactotransferrin reviewed LTF - - - - -
Q52440 BXGT014980 Biphenyl dioxygenase ferredoxin subunit reviewed bphA3 - - - - -
Q01105 BXGT012569 Protein SET reviewed SET Enzyme modulator - - - -
P17452 BXGT008310 Dermonecrotic toxin reviewed toxA - - - - -
Q9R237 BXGT021424 C-Jun-amino-terminal kinase-interacting protein 1 reviewed Mapk8ip1 - - - - -
P0C2P0 BXGT007412 Blasticidin-S deaminase reviewed bsd - - - - -
Q8ZUN8 BXGT019254 Uncharacterized protein unreviewed PAE2689 - - - - -
Q9WUB0 BXGT021938 RanBP-type and C3HC4-type zinc finger-containing protein 1 reviewed Rbck1 - - - - -
Q9GK12 BXGT020403 Peptidoglycan recognition protein 1 reviewed PGLYRP1 - - - - -
P61823 BXGT011385 Ribonuclease pancreatic reviewed RNASE1 - - - - -
P84612 BXGT012059 Superoxide dismutase [Fe] reviewed sodB - - - - -
B2ZGS7 BXGT002021 Xylanase and alpha-amylase inhibitor protein isoform I unreviewed - - - - -
P02699 BXGT005925 Rhodopsin reviewed RHO - - - - -
Q15JG1 BXGT013615 Validamine 7-phosphate valienyltransferase reviewed vldE - - - - -
D9J2T9 BXGT003028 Ribosome inactivating protein unreviewed RIP - - - - -
P39840 BXGT010144 Aldose 1-epimerase reviewed galM - - - - -
E1BHM0 BXGT003067 C-type lectin domain family 4 member E unreviewed CLEC4E - - - - -
Q5AI14 BXGT015287 Trehalose-phosphatase unreviewed TPS2 - - - - -
A0A059WZ16 BXGT000022 AAC3-I unreviewed - - - - -
P59082 BXGT011260 Lachrymatory-factor synthase reviewed LFS - - - - -
C7PIC2 BXGT002599 Uncharacterized protein unreviewed Cpin_6279 - - - - -
A0A117IMA6 BXGT000640 Alpha,alpha-trehalose-phosphate synthase unreviewed RMCT_1906 - - - - -
P32356 BXGT009628 Neutral trehalase reviewed NTH1 - - - - -
P35968 BXGT009887 Vascular endothelial growth factor receptor 2 reviewed KDR Kinase - - - -
P0A9B2 BXGT007180 Glyceraldehyde-3-phosphate dehydrogenase A reviewed gapA - - - - -
P09668 BXGT006914 Pro-cathepsin H reviewed CTSH Enzyme - - - -
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 CHEMBL1236395
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
P42858 BXGT010341 Huntingtin reviewed - HTT Inhibition - - -
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 17 %
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 36 %
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP K '=' 1 -
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 29 %
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 11 nm
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 30 %
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 33 %
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity - - -
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Tlag '=' 4 hr
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 19 %
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 18 %
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 5 %
A8NS89 BXGT001716 Trehalose-phosphatase reviewed - Bm1_08695 Ratio '=' 0 -
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 26 %
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 15 %
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 37 a.u.
A8NS89 BXGT001716 Trehalose-phosphatase reviewed - Bm1_08695 Ki '>' 10000000 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP T1/2 '=' 8 hr
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00101 Flaxseed Linum usitatissimum Herbs and Spices
BXGF04889 Pogostemon cablin Pogostemon cablin Medicinal Plant
BXGF06279 Dacrycarpus imbricatus Dacrycarpus imbricatus Others
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