SLM

(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide

Created: 2010-11-04
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count6
Bond Count41
Aromatic Bond Count0
2D diagram of SLM

Chemical Component Summary

Name(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide
SynonymsSIALYLAMIDE
Systematic Name (OpenEye OEToolkits)(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide
FormulaC11 H20 N2 O8
Molecular Weight308.285
TypeD-SACCHARIDE, BETA LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(N)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
SMILESCACTVS3.352CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(N)=O
SMILESOpenEye OEToolkits1.6.1CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)N)O)O
Canonical SMILESCACTVS3.352 CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(N)=O
Canonical SMILESOpenEye OEToolkits1.6.1 CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)N)O)O
InChIInChI1.03 InChI=1S/C11H20N2O8/c1-4(15)13-7-5(16)2-11(20,10(12)19)21-9(7)8(18)6(17)3-14/h5-9,14,16-18,20H,2-3H2,1H3,(H2,12,19)(H,13,15)/t5-,6+,7+,8+,9+,11-/m0/s1
InChIKeyInChI1.03 PKSULYZGXFBQIQ-PFQGKNLYSA-N

Related Resource References

Resource NameReference
PubChem 53239785
ChEBI CHEBI:62289