MHS

N1-METHYLATED HISTIDINE

Created:	1999-07-08
Last modified:	2024-09-27

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58 entries where MHS is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	1
Bond Count	23
Aromatic Bond Count	5

2D diagram of MHS

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Chemical Component Summary
Name	N1-METHYLATED HISTIDINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid
Formula	C₇ H₁₁ N₃ O₂
Molecular Weight	169.181
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)Cc1cncn1C
SMILES	CACTVS	3.341	Cn1cncc1C[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	Cn1cncc1CC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	Cn1cncc1C[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cn1cncc1C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
InChIKey	InChI	1.03	JDHILDINMRGULE-LURJTMIESA-N

Related Resource References

Resource Name	Reference
PubChem	6971061, 64969
ChEBI	CHEBI:143076, CHEBI:27596

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