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English
2-methyl-L-tryptophan zwitterion
chemical compound
(2S)-2-azaniumyl-3-(2-methyl-1H-indol-3-yl)propanoate
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Statements
instance of
type of chemical entity
0 references
subclass of
tryptamine alkaloid
1 reference
based on heuristic
inferred from SMILES
part of
tryptophan 2-C-methyltransferase activity
1 reference
reference URL
http://geneontology.org/external2go/rhea2go
retrieved
1 February 2021
mass
218.105527688
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2-methyl-L-tryptophan
1 reference
based on heuristic
inferred from InChI
tautomer of
2-methyl-L-tryptophan
1 reference
stated in
ChEBI release 2021-03-01
chemical formula
C₁₂H₁₄N₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cc1[nH]c2ccccc2c1CC(N)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Cc1[nH]c2ccccc2c1C[C@H](N)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H14N2O2/c1-7-9(6-10(13)12(15)16)8-4-2-3-5-11(8)14-7/h2-5,10,14H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
BXJSOEWOQDVGJW-JTQLQIEISA-N
1 reference
stated in
ChEBI release 2021-03-01
CAS Registry Number
33468-32-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
12991541
1 reference
matched by identifier from
InChIKey
InChIKey
BXJSOEWOQDVGJW-JTQLQIEISA-N
40423437
1 reference
matched by identifier from
InChIKey
InChIKey
BXJSOEWOQDVGJW-JTQLQIEISA-N
ChEBI ID
85908
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H14N2O2/c1-7-9(6-10(13)12(15)16)8-4-2-3-5-11(8)14-7/h2-5,10,14H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
86128
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H14N2O2/c1-7-9(6-10(13)12(15)16)8-4-2-3-5-11(8)14-7/h2-5,10,14H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
SureChEMBL ID
SCHEMBL195997
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BXJSOEWOQDVGJW-JTQLQIEISA-N
DSSTox substance ID
DTXSID50955096
1 reference
matched by identifier from
InChIKey
InChIKey
BXJSOEWOQDVGJW-JTQLQIEISA-N
UNII
I2C3UL6D63
1 reference
matched by identifier from
InChIKey
InChIKey
BXJSOEWOQDVGJW-JTQLQIEISA-N
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