NI15501A (CHEBI:223699)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	NI15501A

ChEBI ID	CHEBI:223699

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H15N3O3

Net Charge

Average Mass

249.270

Monoisotopic Mass

249.11134

InChI

InChI=1S/C12H15N3O3/c1-7(14-8(2)16)12(18)15-10-6-4-3-5-9(10)11(13)17/h3-7H,1-2H3,(H2,13,17)(H,14,16)(H,15,18)/t7-/m0/s1

InChIKey

TVWVXIWYFXAZHZ-ZETCQYMHSA-N

SMILES

O=C(N)C1=C(NC(=O)[C@@H](NC(=O)C)C)C=CC=C1

Metabolite of Species	Details
Penicilliumspecies (NCBI:txid5081)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	NI15501A (CHEBI:223699) is a amidobenzoic acid (CHEBI:48470)

IUPAC Name

2-[[(2S)-2-acetamidopropanoyl]amino]benzamide