CHEBI:123218 - 3-phenyl-3-(1-tetrazolyl)propanoic acid

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ChEBI Name 3-phenyl-3-(1-tetrazolyl)propanoic acid
ChEBI ID CHEBI:123218
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C10H10N4O2
Net Charge 0
Average Mass 218.212
Monoisotopic Mass 218.08038
InChI InChI=1S/C10H10N4O2/c15-10(16)6-9(14-7-11-12-13-14)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,15,16)
InChIKey IPEATIREFBKQKS-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)C(CC(=O)O)N2C=NN=N2
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 3-phenyl-3-(1-tetrazolyl)propanoic acid (CHEBI:123218) is a benzenes (CHEBI:22712)
3-phenyl-3-(1-tetrazolyl)propanoic acid (CHEBI:123218) is a monocarboxylic acid (CHEBI:25384)
Manual Xref Database
LSM-34660 LINCS
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