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

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Leu-Phe

	Properties	Image
MNX_ID	MNXM1371378
reference	sabiorkM:24586
formula	C₁₅H₂₂N₂O₃
global charge	0
mol weight	278.352
InChIKey	KFKWRHQBZQICHA-UHFFFAOYSA-N
InChI	InChI=1S/C15H22N2O3/c1-10(2)8-12(16)14(18)17-13(15(19)20)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)
SMILES	CC(C)CC(N)C(O)=NC(CC1=CC=CC=C1)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C15H22N2O3/c1-10(2)8-12(16)14(18)17-13(15(19)20)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12?,13?
SMILES (mnx)	[CH3:1][CH:10]([CH3:2])[CH2:8][CH:12]([C:14](=[N:17][CH:13]([CH2:9][C:11]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[C:15](=[O:19])[OH:20])[OH:18])[NH2:16]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
sabiork.compound:24586 sabiorkM:24586 KFKWRHQBZQICHA-UHFFFAOYSA-N	Leu-Phe
hmdb:HMDB0302841 KFKWRHQBZQICHA-UHFFFAOYSA-N	LF (2S,3S)-(2-2H,3-2H)-Leucine-(S)-phenylalanine 2-(2-amino-4-Methyl-pentanoylamino)-3-phenyl-propionic acid 2-(2-amino-4-methylpentanamido)-3-phenylpropanoic acid 2-[(2-Amino-1-hydroxy-4-methylpentylidene)amino]-3-phenylpropanoate DL-Leu-DL-phe DL-Leucyl-DL-phenylalanine Leu-phe Leucyl-phenylalanine Leucylphenylalanine leu-phe