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

Feedback

Ala-Phe

	Properties	Image
MNX_ID	MNXM1371216
reference	chebi:73807
formula	C₁₂H₁₆N₂O₃
global charge	0
mol weight	236.271
InChIKey	OMNVYXHOSHNURL-WPRPVWTQSA-N
InChI	InChI=1S/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1
SMILES	C[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1
SMILES (mnx)	[CH3:1][C@@H:8]([C:11](=[N:14][C@@H:10]([CH2:7][C:9]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[C:12](=[O:16])[OH:17])[OH:15])[NH2:13]

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:73807 chebi:73807 OMNVYXHOSHNURL-WPRPVWTQSA-N	Ala-Phe AF L-Ala-L-Phe L-alanyl-L-phenylalanine alanylphenylalanine
hmdb:HMDB0028694 OMNVYXHOSHNURL-WPRPVWTQSA-N	Alanylphenylalanine (2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanoic acid AF AF dipeptide Ala-phe Alanine phenylalanine dipeptide Alanine-phenylalanine dipeptide Alanyl-phenylalanine Alanylphenylalanine, (DL-pheala)-isomer Alanylphenylalanine, (beta-ala)-isomer L-Ala-L-phe L-Alanyl-L-phenylalanine N-Alanylphenylalanine N-L-Alanyl-L-phenylalanine NSC 89630 a-F Dipeptide
sabiork.compound:27288 sabiorkM:27288 OMNVYXHOSHNURL-WPRPVWTQSA-N	L-Alanyl-L-phenylalanine
hmdb:HMDB28694	secondary/obsolete/fantasy identifier