CNP

2-propenyl-N-acetyl-neuraminic acid

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

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1 entries where CNP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	6
Bond Count	46
Aromatic Bond Count	0

2D diagram of CNP

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Chemical Component Summary
Name	2-propenyl-N-acetyl-neuraminic acid
Synonyms	2-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
Formula	C₁₄ H₂₃ N O₈
Molecular Weight	333.334
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)C\C=C
SMILES	CACTVS	3.341	CC(=O)N[CH]1[CH](O)C[C](CC=C)(O[CH]1[CH](O)[CH](O)CO)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)NC1C(CC(OC1C(C(CO)O)O)(CC=C)C(=O)O)O
Canonical SMILES	CACTVS	3.341	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 SMILES	OpenEye OEToolkits	1.5.0	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
InChI	InChI	1.03	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
InChIKey	InChI	1.03	IUGVDRFIVSPVGO-KXEMTNKZSA-N

Drug Info: DrugBank

DrugBank ID	DB01716
Name	2-propenyl-N-acetyl-neuramic acid
Groups	experimental
Synonyms	2-propenyl-N-acetyl-neuramic acid

Related Resource References

Resource Name	Reference
PubChem	449535

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.