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(Q82239285)
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English
1-Methyl-D-histidine
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
169.085126592
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
1-methyl histidine (L-form)
1 reference
based on heuristic
inferred from InChI
chemical formula
C₇H₁₁N₃O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cn1cnc(CC(N)C(=O)O)c1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Cn1cnc(C[C@@H](N)C(=O)O)c1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m1/s1
0 references
InChIKey
BRMWTNUJHUMWMS-ZCFIWIBFSA-N
0 references
CAS Registry Number
163750-77-4
0 references
PubChem CID
6993113
1 reference
matched by identifier from
InChIKey
InChIKey
BRMWTNUJHUMWMS-ZCFIWIBFSA-N
6993114
1 reference
matched by identifier from
InChIKey
InChIKey
BRMWTNUJHUMWMS-ZCFIWIBFSA-N
SureChEMBL ID
SCHEMBL163222
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BRMWTNUJHUMWMS-ZCFIWIBFSA-N
DSSTox substance ID
DTXSID30426350
1 reference
matched by identifier from
InChIKey
InChIKey
BRMWTNUJHUMWMS-ZCFIWIBFSA-N
DSSTOX compound identifier
DTXCID60377184
0 references
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