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(Q106345542)
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English
4-(3-methylbut-2-enyl)-L-tryptophan zwitterion
chemical compound
(2S)-2-azaniumyl-3-[4-(3-methylbut-2-en-1-yl)-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 dimethylallyltransferase activity
1 reference
reference URL
http://geneontology.org/external2go/rhea2go
retrieved
1 February 2021
mass
272.15247788
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
4-(3-methylbut-2-enyl)-L-tryptophan
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
tautomer of
4-(3-methylbut-2-enyl)-L-tryptophan
1 reference
stated in
ChEBI release 2021-03-01
chemical formula
C₁₆H₂₀N₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)=CCc1cccc2[nH]cc(CC(N)C(=O)O)c12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)=CCc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H20N2O2/c1-10(2)6-7-11-4-3-5-14-15(11)12(9-18-14)8-13(17)16(19)20/h3-6,9,13,18H,7-8,17H2,1-2H3,(H,19,20)/t13-/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
MZSPRSJAOSKAAT-ZDUSSCGKSA-N
1 reference
stated in
ChEBI release 2021-03-01
ChEBI ID
58209
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H20N2O2/c1-10(2)6-7-11-4-3-5-14-15(11)12(9-18-14)8-13(17)16(19)20/h3-6,9,13,18H,7-8,17H2,1-2H3,(H,19,20)/t13-/m0/s1
17619
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H20N2O2/c1-10(2)6-7-11-4-3-5-14-15(11)12(9-18-14)8-13(17)16(19)20/h3-6,9,13,18H,7-8,17H2,1-2H3,(H,19,20)/t13-/m0/s1
DSSTox substance ID
DTXSID20331484
1 reference
matched by identifier from
InChIKey
InChIKey
MZSPRSJAOSKAAT-ZDUSSCGKSA-N
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