CNP

2-propenyl-N-acetyl-neuraminic acid

Created:1999-07-08
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count6
Bond Count46
Aromatic Bond Count0
2D diagram of CNP

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Toggle HydrogenToggle Labels

Chemical Component Summary

Name2-propenyl-N-acetyl-neuraminic acid
Synonyms2-PROPENYL-N-ACETYL-NEURAMIC ACID
Systematic Name (OpenEye OEToolkits)(2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-prop-2-enyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
FormulaC14 H23 N O8
Molecular Weight333.334
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)C\C=C
SMILESCACTVS3.341CC(=O)N[CH]1[CH](O)C[C](CC=C)(O[CH]1[CH](O)[CH](O)CO)C(O)=O
SMILESOpenEye OEToolkits1.5.0CC(=O)NC1C(CC(OC1C(C(CO)O)O)(CC=C)C(=O)O)O
Canonical SMILESCACTVS3.341 CC(=O)N[C@@H]1[C@@H](O)C[C@@](CC=C)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(CC=C)C(=O)O)O
InChIInChI1.03 InChI=1S/C14H23NO8/c1-3-4-14(13(21)22)5-8(18)10(15-7(2)17)12(23-14)11(20)9(19)6-16/h3,8-12,16,18-20H,1,4-6H2,2H3,(H,15,17)(H,21,22)/t8-,9+,10+,11+,12+,14+/m0/s1
InChIKeyInChI1.03 IUGVDRFIVSPVGO-KXEMTNKZSA-N

Drug Info: DrugBank

DrugBank IDDB01716 
Name2-propenyl-N-acetyl-neuramic acid
Groups experimental
Synonyms2-propenyl-N-acetyl-neuramic acid

Related Resource References

Resource NameReference
PubChem 449535