DHI

D-HISTIDINE

Created:	1999-09-08
Last modified:	2023-11-03

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4 entries where DHI is found as a standalone ligand1 entries where DHI is covalently linked to polymer or other heterogen groups 78 entries where DHI is found in a polymer sequence

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Chemical Details
Formal Charge	1
Atom Count	21
Chiral Atom Count	1
Bond Count	21
Aromatic Bond Count	5

2D diagram of DHI

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Chemical Component Summary
Name	D-HISTIDINE
Systematic Name (OpenEye OEToolkits)	(2R)-2-amino-3-(1H-imidazol-3-ium-4-yl)propanoic acid
Formula	C₆ H₁₀ N₃ O₂
Molecular Weight	156.162
Type	D-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)Cc1cnc[nH+]1
SMILES	CACTVS	3.341	N[CH](Cc1c[nH]c[nH+]1)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1c([nH+]c[nH]1)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@H](Cc1c[nH]c[nH+]1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c([nH+]c[nH]1)C[C@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m1/s1
InChIKey	InChI	1.03	HNDVDQJCIGZPNO-RXMQYKEDSA-O

Related Resource References

Resource Name	Reference
PubChem	5460937, 5288059
ChEBI	CHEBI:32526
CCDC/CSD	IZAJUO, LAXYOY, CUYYUR, DOZDII, DOZDOO, ZUCQOD, LAKBEG, GUQLAH, QIJZOA, TENVOZ, QIJZAM, OYODEO, OYOCUD

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.