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(Q105148098)
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English
(S)-2-Amino-3-(5-bromo-1H-indol-3-yl)propanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
tryptamine alkaloid
0 references
mass
282.000389692
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
5-Bromo-D-tryptophan
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₁BrN₂O₂
0 references
canonical SMILES
O=C(O)C(N)CC1=CNC=2C=CC(Br)=CC21
0 references
isomeric SMILES
N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O
0 references
found in taxon
Smenospongia
1 reference
stated in
Cytotoxic bromoindole derivatives and terpenes from the Philippine marine sponge Smenospongia sp.
Identifiers
InChI
InChI=1S/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
0 references
InChIKey
KZDNJQUJBMDHJW-VIFPVBQESA-N
0 references
CAS Registry Number
25197-99-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
644329
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KZDNJQUJBMDHJW-VIFPVBQESA-N
6921693
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KZDNJQUJBMDHJW-VIFPVBQESA-N
SureChEMBL ID
SCHEMBL454983
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KZDNJQUJBMDHJW-VIFPVBQESA-N
DSSTox substance ID
DTXSID201315301
1 reference
matched by identifier from
InChIKey
InChIKey
KZDNJQUJBMDHJW-VIFPVBQESA-N
Human Metabolome Database ID
HMDB0240660
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KZDNJQUJBMDHJW-VIFPVBQESA-N
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