Details of the Drug

General Information of Drug (ID: DM1ROU7)

Drug Name
D-xylulose
Synonyms
D-threo-2-Pentulose; D-threo-pent-2-ulose; D-xylulose; HY-W010256; Lyxulose; Threo-2-pentulose (9CI); Threo-2-pentulose(9ci); Threo-2-pentulose, D-; Xylulose D-isomer [MI]; Xylulose, D-; YSC9WAF8X1; ZAQJHHRNXZUBTE-WUJLRWPWSA-N; ZINC100028356; threo-2-Pentulose; xylulose; (3S,4R)-1,3,4,5-tetrahydroxypentan-2-one; 551-84-8; 5962-29-8; AC1NRDJS; AKOS027320628; CHEBI:17140; CHEMBL195094; CS-W010972; CTK5A3156; D-Xul; DTXSID70415364; FCH4007851; FT-0625634; SCHEMBL37387; UNII-YSC9WAF8X1; XUL
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 150.13
Logarithm of the Partition Coefficient (xlogp) -2.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C5H10O5
IUPAC Name
(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one
Canonical SMILES
C(C(C(C(=O)CO)O)O)O
InChI
ZAQJHHRNXZUBTE-WUJLRWPWSA-N
InChIKey
1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m1/s1
Cross-matching ID
PubChem CID
5289590
ChEBI ID
CHEBI:17140
CAS Number
551-84-8
DrugBank ID
DB03947
INTEDE ID
DR2093

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Xylulose kinase (XYLB)
Main DME 		DECFU6W XYLB_HUMAN Substrate [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
L-xylulose reductase (DCXR) OTYVXRXB DCXR_HUMAN Regulation of Drug Effects [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Structure and function of human xylulokinase, an enzyme with important roles in carbohydrate metabolism. J Biol Chem. 2013 Jan 18;288(3):1643-52.
2 Diacetyl/l-xylulose reductase mediates chemical redox cycling in lung epithelial cells. Chem Res Toxicol. 2017 Jul 17;30(7):1406-1418.