HAM

HISTIDYL-ADENOSINE MONOPHOSPHATE

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

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3 entries where HAM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	5
Bond Count	57
Aromatic Bond Count	15

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Chemical Component Summary
Name	HISTIDYL-ADENOSINE MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [(2S)-2-azaniumyl-3-(1H-imidazol-4-yl)propanoyl] phosphate
Formula	C₁₆ H₂₁ N₈ O₈ P
Molecular Weight	484.361
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-]P(=O)(OC(=O)C([NH3+])Cc1ncnc1)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O
SMILES	CACTVS	3.341	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P]([O-])(=O)OC(=O)[CH]([NH3+])Cc4c[nH]cn4)[CH](O)[CH]3O
SMILES	OpenEye OEToolkits	1.5.0	c1c(nc[nH]1)CC(C(=O)OP(=O)([O-])OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)[NH3+]
Canonical SMILES	CACTVS	3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P]([O-])(=O)OC(=O)[C@@H]([NH3+])Cc4c[nH]cn4)[C@@H](O)[C@H]3O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c(nc[nH]1)C[C@@H](C(=O)O[P@](=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)[NH3+]
InChI	InChI	1.03	InChI=1S/C16H21N8O8P/c17-8(1-7-2-19-4-20-7)16(27)32-33(28,29)30-3-9-11(25)12(26)15(31-9)24-6-23-10-13(18)21-5-22-14(10)24/h2,4-6,8-9,11-12,15,25-26H,1,3,17H2,(H,19,20)(H,28,29)(H2,18,21,22)/t8-,9+,11+,12+,15+/m0/s1
InChIKey	InChI	1.03	XTFBSLZFYLGYAT-OPYVMVOTSA-N

Drug Info: DrugBank

DrugBank ID	DB04201
Name	Histidyl-Adenosine Monophosphate
Groups	experimental
Synonyms	Histidyl-Adenosine Monophosphate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Histidine--tRNA ligase	MAKNIQAIRGMNDYLPGETAIWQRIEGTLKNVLGSYGYSEIRLPIVEQTP...	unknown
Histidine--tRNA ligase	MTARAVRGTKDLFGKELRMHQRIVATARKVLEAAGALELVTPIFEETQVF...	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