Chemical Component Summary

NameHISTIDYL-ADENOSINE MONOPHOSPHATE
Identifiers[(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
FormulaC16 H21 N8 O8 P
Molecular Weight484.361
TypeNON-POLYMER
Isomeric SMILESc1c(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+]
InChIInChI=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
InChIKeyXTFBSLZFYLGYAT-OPYVMVOTSA-N

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count5
Bond Count57
Aromatic Bond Count15

Drug Info: DrugBank

DrugBank IDDB04201 
NameHistidyl-Adenosine Monophosphate
Groups experimental
SynonymsHistidyl-Adenosine Monophosphate

Drug Targets

NameTarget SequencePharmacological ActionActions
Histidine--tRNA ligaseMAKNIQAIRGMNDYLPGETAIWQRIEGTLKNVLGSYGYSEIRLPIVEQTP...unknown
Histidine--tRNA ligaseMTARAVRGTKDLFGKELRMHQRIVATARKVLEAAGALELVTPIFEETQVF...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

Related Resource References

Resource NameReference
PubChem 444222, 5288509