MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

N-benzoyl-L-alanine

	Properties	Image
MNX_ID	MNXM107017
reference	chebi:71166
formula	C₁₀H₁₁NO₃
global charge	0
mol weight	193.202
InChIKey	UAQVHNZEONHPQG-ZETCQYMHSA-N
InChI	InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m0/s1
SMILES	C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m0/s1
SMILES (mnx)	[CH3:1][C@@H:7]([C:10](=[O:13])[OH:14])[N:11]=[C:9]([C:8]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[OH:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:71166 chebi:71166 UAQVHNZEONHPQG-ZETCQYMHSA-N	N-benzoyl-L-alanine (S)-alpha-methylhippuric acid Methylhippuric acid N-Benzoylalanine
CHEBI:71167 chebi:71167 UAQVHNZEONHPQG-UHFFFAOYSA-N	N-benzoylalanine Benzoyl-DL-alanine N-Benzoyl-DL-alanine alpha-methylhippuric acid benzoylalanine dl-N-Benzoylalanine methylhippuric acid
hmdb:HMDB0255085 UAQVHNZEONHPQG-UHFFFAOYSA-N	n-benzoyl-d-alanine 2-(phenylformamido)propanoic acid Benzoyl-DL-alanine Benzoylalanine Betamipron DL-N-Benzoylalanine Methylhippate Methylhippic acid Methylhippuric acid N-Benzoyl-D-alanine N-Benzoyl-DL-alanine N-Benzoyl-beta-alanine N-Benzoylalanine N-Benzoylalanine monosodium salt, (L-ala)-isomer N-Benzoylalanine, (D-ala)-isomer N-Benzoylalanine, (DL-ala)-isomer N-Benzoylalanine, (beta-ala)-isomer a-Methylhippate a-Methylhippic acid alpha-Methylhippate alpha-Methylhippic acid alpha-Methylhippuric acid alpha-methylhippate alpha-methylhippic acid methylhippuric acid