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(Q31932797)
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English
2-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]acetic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
248.079706864
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₂N₂O₄
0 references
canonical SMILES
C1=CC2=C(C=C1O)C(=CN2)CC(=O)NCC(=O)O
0 references
Identifiers
InChI
InChI=1S/C12H12N2O4/c15-8-1-2-10-9(4-8)7(5-13-10)3-11(16)14-6-12(17)18/h1-2,4-5,13,15H,3,6H2,(H,14,16)(H,17,18)
0 references
InChIKey
LFUCRBSGQMAKCO-UHFFFAOYSA-N
0 references
CAS Registry Number
16606-62-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
440806
1 reference
matched by identifier from
InChIKey
InChIKey
LFUCRBSGQMAKCO-UHFFFAOYSA-N
ChEBI ID
27631
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H12N2O4/c15-8-1-2-10-9(4-8)7(5-13-10)3-11(16)14-6-12(17)18/h1-2,4-5,13,15H,3,6H2,(H,14,16)(H,17,18)
UniChem compound ID
1074180
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201256185
1 reference
matched by identifier from
InChIKey
InChIKey
LFUCRBSGQMAKCO-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0004185
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LFUCRBSGQMAKCO-UHFFFAOYSA-N
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