149

D-galactonolactone

Created: 2001-10-02
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count4
Bond Count22
Aromatic Bond Count0
2D diagram of 149
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Chemical Component Summary

NameD-galactonolactone
Synonyms(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
Systematic Name (OpenEye OEToolkits)(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
FormulaC6 H10 O6
Molecular Weight178.14
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1OC(CO)C(O)C(O)C1O
SMILESCACTVS3.352OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O
SMILESOpenEye OEToolkits1.7.0C(C1C(C(C(C(=O)O1)O)O)O)O
Canonical SMILESCACTVS3.352 OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@H]1O
Canonical SMILESOpenEye OEToolkits1.7.0 C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O
InChIInChI1.03 InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3+,4+,5-/m1/s1
InChIKeyInChI1.03 PHOQVHQSTUBQQK-MGCNEYSASA-N

Drug Info: DrugBank

DrugBank IDDB01885 
NameD-Galctopyranosyl-1-On
Groups experimental
SynonymsD-Galctopyranosyl-1-On
CAS number15892-28-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Beta-galactosidaseMTMITDSLAVVLQRRDWENPGVTQLNRLAAHPPFASWRNSEEARTDRPSQ...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 439781
ChEBI CHEBI:15945