9AM

9-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID

Created:	2000-07-21
Last modified:	2020-07-17

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2 entries where 9AM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	5
Bond Count	38
Aromatic Bond Count	0

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Chemical Component Summary
Name	9-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
Systematic Name (OpenEye OEToolkits)	(4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxy-propyl]-4-hydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid
Formula	C₁₁ H₁₈ N₂ O₇
Molecular Weight	290.27
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C=1OC(C(O)C(O)CN)C(NC(=O)C)C(O)C=1
SMILES	CACTVS	3.341	CC(=O)N[CH]1[CH](O)C=C(O[CH]1[CH](O)[CH](O)CN)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)NC1C(C=C(OC1C(C(CN)O)O)C(=O)O)O
Canonical SMILES	CACTVS	3.341	CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CN)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](CN)O)O)C(=O)O)O
InChI	InChI	1.03	InChI=1S/C11H18N2O7/c1-4(14)13-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,15-17H,3,12H2,1H3,(H,13,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
InChIKey	InChI	1.03	VJTPBNUXDULDQD-UFGQHTETSA-N

Drug Info: DrugBank

DrugBank ID	DB04227
Name	9-Amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
Groups	experimental
Synonyms	(6R)-5-Acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,6-anhydro-3,5-dideoxy-L-threo-hex-2-enonic acid 9-Amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Neuraminidase	MNPNQKILCTSATALVIGTIAVLIGITNLGLNIGLHLKPSCNCSHSQPEA...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682