AXP

(1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol

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

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2 entries where AXP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	6
Bond Count	41
Aromatic Bond Count	0

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Chemical Component Summary
Name	(1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol
Synonyms	4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE)
Systematic Name (OpenEye OEToolkits)	[(2S,4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]phosphonic acid
Formula	C₁₀ H₂₀ N O₉ P
Molecular Weight	329.241
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)C1OC(C(NC(=O)C)C(O)C1)C(O)C(O)CO
SMILES	CACTVS	3.341	CC(=O)N[CH]1[CH](O)C[CH](O[CH]1[CH](O)[CH](O)CO)[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)NC1C(CC(OC1C(C(CO)O)O)P(=O)(O)O)O
Canonical SMILES	CACTVS	3.341	CC(=O)N[C@@H]1[C@@H](O)C[C@@H](O[C@H]1[C@H](O)[C@H](O)CO)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)N[C@@H]1[C@H](C[C@@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C10H20NO9P/c1-4(13)11-8-5(14)2-7(21(17,18)19)20-10(8)9(16)6(15)3-12/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)(H2,17,18,19)/t5-,6+,7-,8+,9+,10+/m0/s1
InChIKey	InChI	1.03	QITAGYVZDNZULE-HDBWYCHPSA-N

Drug Info: DrugBank

DrugBank ID	DB04561
Name	4-acetamido-2,4-didexoy-D-glycero-beta-D-galacto-octopyranosylphosphonic acid
Groups	experimental
Synonyms	4-acetamido-2,4-didexoy-D-glycero-beta-D-galacto-octopyranosylphosphonic acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Sialidase	MTVEKSVVFKAEGEHFTDQKGNTIVGSGSGGTTKYFRIPAMCTTSKGTIV...	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