H5P

HYDANTOCIDIN-5'-PHOSPHATE

Created:	1999-07-08
Last modified:	2011-06-04

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2 entries where H5P is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	4
Bond Count	31
Aromatic Bond Count	0

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Chemical Component Summary
Name	HYDANTOCIDIN-5'-PHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(5S,6R,7S,8R)-6,7-dihydroxy-1,3-dioxo-9-oxa-2,4-diazaspiro[4.4]nonan-8-yl]methyl dihydrogen phosphate
Formula	C₇ H₁₁ N₂ O₉ P
Molecular Weight	298.144
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2NC(=O)NC21OC(C(O)C1O)COP(=O)(O)O
SMILES	CACTVS	3.341	O[CH]1[CH](O)[C]2(NC(=O)NC2=O)O[CH]1CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C1C(C(C2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	O[C@H]1[C@@H](O)[C@]2(NC(=O)NC2=O)O[C@@H]1CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C7H11N2O9P/c10-3-2(1-17-19(14,15)16)18-7(4(3)11)5(12)8-6(13)9-7/h2-4,10-11H,1H2,(H2,14,15,16)(H2,8,9,12,13)/t2-,3-,4-,7+/m1/s1
InChIKey	InChI	1.03	HVXIMXHBUJADCC-GTBMBKLPSA-N

Drug Info: DrugBank

DrugBank ID	DB02493
Name	Hydantocidin-5'-phosphate
Groups	experimental
Synonyms	Hydantocidin-5'-phosphate Phosphohydantocidin [(5S,7R,8S,9R)-8,9-dihydroxy-2,4-dioxo-6-oxa-1,3-diazaspiro[4.4]non-7-yl]methyl dihydrogen phosphate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Adenylosuccinate synthetase	MNIFDHQIKNVDKGNVVAILGAQWGDEGKGKIIDMLSEYSDITCRFNGGA...	unknown	inhibitor
Adenylosuccinate synthetase	MGNNVVVLGTQWGDEGKGKIVDLLTERAKYVVRYQGGHNAGHTLVINGEK...	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