HSA

PHOSPHORIC ACID MONO-[2-AMINO-3-(3H-IMIDAZOL-4-YL)-PROPYL]ESTER

Created:	2000-12-11
Last modified:	2011-06-04

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2 entries where HSA is found as a standalone ligand3 entries where HSA is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	5

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Chemical Component Summary
Name	PHOSPHORIC ACID MONO-[2-AMINO-3-(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
Systematic Name (OpenEye OEToolkits)	[2-amino-3-(1H-imidazol-4-yl)propyl] dihydrogen phosphate
Formula	C₆ H₁₂ N₃ O₄ P
Molecular Weight	221.151
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC(N)Cc1ncnc1
SMILES	CACTVS	3.341	N[CH](CO[P](O)(O)=O)Cc1c[nH]cn1
SMILES	OpenEye OEToolkits	1.5.0	c1c(nc[nH]1)CC(COP(=O)(O)O)N
Canonical SMILES	CACTVS	3.341	N[C@H](CO[P](O)(O)=O)Cc1c[nH]cn1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c(nc[nH]1)CC(COP(=O)(O)O)N
InChI	InChI	1.03	InChI=1S/C6H12N3O4P/c7-5(3-13-14(10,11)12)1-6-2-8-4-9-6/h2,4-5H,1,3,7H2,(H,8,9)(H2,10,11,12)/t5-/m0/s1
InChIKey	InChI	1.03	CWNDERHTHMWBSI-YFKPBYRVSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB03997
Name	L-histidinol phosphate
Groups	experimental
Synonyms	phosphoric acid mono-[2-amino-3-(3H-imidazol-4-yl)-propyl]ester L-histidinol phosphate
CAS number	25679-93-0

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Histidinol-phosphate aminotransferase	MSTVTITDLARENVRNLTPYQSARRLGGNGDVWLNANEYPTAVEFQLTQQ...	unknown
Histidinol-phosphate aminotransferase	MNPLDLIAKRAYPYETEKRDKTYLALNENPFPFPEDLVDEVFRRLNSDAL...	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