KDM

deamino-alpha-neuraminic acid

Created:2010-11-26
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count6
Bond Count34
Aromatic Bond Count0
2D diagram of KDM

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Chemical Component Summary

Namedeamino-alpha-neuraminic acid
Synonymsalpha-deaminoneuraminic acid; 3-deoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid; sialic acid; (2R,4S,5R,6R)-2,4,5-TRIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC-ACID
Systematic Name (OpenEye OEToolkits)(2R,4S,5R,6R)-2,4,5-trihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
FormulaC9 H16 O9
Molecular Weight268.218
TypeD-SACCHARIDE, ALPHA LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.352OC[CH](O)[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O
SMILESOpenEye OEToolkits1.6.1C1C(C(C(OC1(C(=O)O)O)C(C(CO)O)O)O)O
Canonical SMILESCACTVS3.352 OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C[C@H](O)[C@H]1O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.6.1 C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O
InChIInChI1.03 InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9+/m0/s1
InChIKeyInChI1.03 CLRLHXKNIYJWAW-LSRLBZCKSA-N

Related Resource References

Resource NameReference
PubChem 197508
ChEBI CHEBI:71432