PRD_900009

alpha-maltotriose

Created: 2020-05-08
Last modified:  2020-07-29

PRD_900009 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 5M28.

Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count15
Bond Count68
Aromatic Bond Count0
Toggle HydrogenToggle Labels

Chemical Component Summary

Namealpha-maltotriose
Systematic Name (OpenEye OEToolkits)(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymet hyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
FormulaC18 H32 O16
Molecular Weight504.437
TypeSACCHARIDE

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O(C1C(OC(O)C(O)C1O)CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
SMILESCACTVS3.341OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[CH](O)[CH](O)[CH]1O
SMILESOpenEye OEToolkits1.5.0C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O
Canonical SMILESCACTVS3.341 OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C @@H]1O
Canonical SMILESOpenEye OEToolkits1.5.0 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO )CO)O)O)O)O
InChIInChI1.03 InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)2 4/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-/m1/s1
InChIKeyInChI1.03 FYGDTMLNYKFZSV-PXXRMHSHSA-N

Drug Info: DrugBank

DrugBank IDDB03277 
Namealpha-maltotriose
Groups experimental
Synonyms
  • α-maltotriose
  • alpha-maltotriose

Drug Targets

NameTarget SequencePharmacological ActionActions
Alpha-amylase 2BMKFFLLLFTIGFCWAQYSPNTQQGRTSIVHLFEWRWVDIALECERYLAPK...unknown
Maltose binding proteinMSVRRWGIVSTGVAALVLAGGAIAGCGTSNGGQNTSPSTSSSSAKGEASA...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 192826
ChEMBL CHEMBL1234363
ChEBI CHEBI:27931