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

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Betamipron

	Properties	Image
MNX_ID	MNXM44203
reference	chebi:31278
formula	C₁₀H₁₁NO₃
global charge	0
mol weight	193.202
InChIKey	CWXYHOHYCJXYFQ-UHFFFAOYSA-N
InChI	InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
SMILES	O=C(O)CCNC(=O)C1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:8]([C:10](=[N:11][CH2:7][CH2:6][C:9](=[O:12])[OH:13])[OH:14])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:31278 chebi:31278 CWXYHOHYCJXYFQ-UHFFFAOYSA-N	Betamipron 3-Benzamidopropionic acid Benzoyl-beta-alanine
kegg.drug:D01331 keggD:D01331 CWXYHOHYCJXYFQ-UHFFFAOYSA-N	Betamipron (JP18/INN)
hmdb:HMDB0034250 CWXYHOHYCJXYFQ-UHFFFAOYSA-N	Betamipron 3-(benzoylamino)Propionic acid 3-(phenylformamido)propanoic acid 3-Benzamidopropanoic acid 3-Benzamidopropionic acid Benzoyl-beta-alanine Betamipron, inn N-(Phenylcarbonyl)-beta-alanine N-Benzoyl-D-alanine N-Benzoyl-b-alanine, 9ci 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 beta-alanine, N-benzoyl-
sabiork.compound:20747 sabiorkM:20747 CWXYHOHYCJXYFQ-UHFFFAOYSA-N	beta-Benzoyl-L-alanine Betamipron N-Benzoyl-DL-alanine
hmdb:HMDB34250 chebi:113539 keggD:M_D01331	secondary/obsolete/fantasy identifier