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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL469448
Compound Name D-MANNOSE
ChEMBL Synonyms D-Mannose
Max Phase 0
Trade Names
Molecular Formula C6H12O6

Additional synonyms for CHEMBL469448 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O
Standard InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2 ...
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Structural Alerts

There are 1 structural alerts for CHEMBL469448. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
180.2 180.0634 -2.51 1 110.38 NEUTRAL

HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 5 0 6 5 0

ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.12 - -2.49 -2.49 0 12 0.31

Compound Cross References

PubChem SID: 29217866 SID: 56323500
Wikipedia Mannose

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL469448

ACToR 31103-86-3 147-74-0 50986-23-7
Atlas mannose
BindinDB 50448403
ChEBI 4208
eMolecules 525589
Guide to Pharmacology 4650
Human Metabolome Database HMDB00169
IBM Patent System 60555DD45C8A4405A6BFD73A3BEA6BB1
IBM Patents WO2000049412A1 US20090305903 EP1572968A2 EP1881845B1 US20070037248 EP1129724A2 US6204029 US20020098513 WO2005055957A2 EP1942924A2 WO2010124154A1 WO2007080308A2 WO2009021978A2 WO2009000066A1 EP0480982B2 US20060018919 WO2007006939A2 US20010051349 EP1958644A1 WO2010078027A1 WO2004052393A1 US7846904 EP1742656B1 US4734398 EP2250189A1 EP0292293A2 WO2007066352A1 EP0475160B1 EP0041426A1 WO2002045726A1 WO2001012134A2 WO1999016458A1 US20080274992 US20050202041 EP1976560A2 US20060009487 EP2091560A1 US7141407 EP1569687A1 EP0526929A1 EP1924282A2 EP2021356B1 US20100178301 EP0480982A1 US6379672 WO2004099235A2 US6753313 EP0369182A1 EP1789531B1 US7754874 US20050277154 US4654375 US7351413 WO2009097291A2 WO2010125239A2 EP1968630A2 US20080050798 US5853737 EP1315559B1 US20080193471 US20060228712 WO2009056762A2 EP2117305A2 US20090092636 WO2007137591A2 US20070060714 US20090291069 US20070178115 US20070160628 US20080057044 US20100278862 EP1019074A1 EP2173376A2 US5334505 EP0817640B1 EP0292293B2 WO2009058833A2 EP1863821A1 US20080114157 EP0828729A1 US20090104227 WO2003059302A1 US7745192 US20090022749 US20030202982 US20050014277 US20050148513 US20100190194 US6900177 US6165500 WO1996035239A1 US20040072279 WO2004024908A1 WO2006123256A3 US5998381 US20060115489 WO2002064556A2 EP2108952A1 US20070015199 US20080050789
KEGG Ligand C00159
MolPort MolPort-003-937-982
Nikkaji J182.296I
PubChem 18950
PubChem: Thomson Pharma 15322061 15066909
Recon man

UniChem REST Service Call: spacer