MNA

2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid

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

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10 entries where MNA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	6
Bond Count	43
Aromatic Bond Count	0

2D diagram of MNA

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Chemical Component Summary
Name	2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid
Synonyms	2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACID
Systematic Name (OpenEye OEToolkits)	(2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-methoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Formula	C₁₂ H₂₁ N O₉
Molecular Weight	323.296
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C1(OC)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
SMILES	CACTVS	3.341	CO[C]1(C[CH](O)[CH](NC(C)=O)[CH](O1)[CH](O)[CH](O)CO)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC)O
Canonical SMILES	CACTVS	3.341	CO[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[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)(C(=O)O)OC)O
InChI	InChI	1.03	InChI=1S/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8+,9+,10+,12+/m0/s1
InChIKey	InChI	1.03	NJRVVFURCKKXOD-MIDKXNQYSA-N

Related Resource References

Resource Name	Reference
PubChem	446069
ChEMBL	CHEMBL1213636

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