KHP

4-nitrophenyl alpha-L-arabinofuranoside

Created:	2003-09-12
Last modified:	2020-07-17

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2 entries where KHP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	4
Bond Count	33
Aromatic Bond Count	6

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Chemical Component Summary
Name	4-nitrophenyl alpha-L-arabinofuranoside
Synonyms	2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-TETRAHYDRO-FURAN-3,4-DIOL; 4-NITROPHENYL-ARA; 4-nitrophenyl alpha-L-arabinoside; 4-nitrophenyl L-arabinoside; 4-nitrophenyl arabinoside
Systematic Name (OpenEye OEToolkits)	(2S,3R,4R,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol
Formula	C₁₁ H₁₃ N O₇
Molecular Weight	271.223
Type	L-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-][N+](=O)c2ccc(OC1OC(C(O)C1O)CO)cc2
SMILES	CACTVS	3.341	OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1[N+](=O)[O-])OC2C(C(C(O2)CO)O)O
Canonical SMILES	CACTVS	3.341	OC[C@@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O
InChI	InChI	1.03	InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11+/m0/s1
InChIKey	InChI	1.03	DUYYBTBDYZXISX-UKKRHICBSA-N

Drug Info: DrugBank

DrugBank ID	DB03196
Name	4-Nitrophenyl-Ara
Groups	experimental
Synonyms	4-Nitrophenyl-Ara

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Intracellular exo-alpha-(1->5)-L-arabinofuranosidase	MATKKATMIIEKDFKIAEIDKRIYGSFIEHLGRAVYGGIYEPGHPQADEN...	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