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

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Met-Phe

	Properties	Image
MNX_ID	MNXM732136
reference	sabiorkM:25528
formula	C₁₄H₂₀N₂O₃S
global charge	0
mol weight	296.392
InChIKey	HGCNKOLVKRAVHD-UHFFFAOYSA-N
InChI	InChI=1S/C14H20N2O3S/c1-20-8-7-11(15)13(17)16-12(14(18)19)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19)
SMILES	CSCCC(N)C(O)=NC(CC1=CC=CC=C1)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C14H20N2O3S/c1-20-8-7-11(15)13(17)16-12(14(18)19)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19)/t11?,12?
SMILES (mnx)	[CH3:1][S:20][CH2:8][CH2:7][CH:11]([C:13](=[N:16][CH:12]([CH2:9][C:10]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[C:14](=[O:18])[OH:19])[OH:17])[NH2:15]

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
sabiork.compound:25528 sabiorkM:25528 HGCNKOLVKRAVHD-UHFFFAOYSA-N	Met-Phe
hmdb:HMDB0028980 HGCNKOLVKRAVHD-UHFFFAOYSA-N	Methionyl-Phenylalanine 2-[2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid 2-{[2-amino-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-3-phenylpropanoate 2-{[2-amino-1-hydroxy-4-(methylsulphanyl)butylidene]amino}-3-phenylpropanoate 2-{[2-amino-1-hydroxy-4-(methylsulphanyl)butylidene]amino}-3-phenylpropanoic acid L-Methionyl-L-phenylalanine MF Dipeptide Met-phe Methionine phenylalanine dipeptide Methionine-phenylalanine dipeptide Methionylphenylalanine m-F Dipeptide
hmdb:HMDB28980	secondary/obsolete/fantasy identifier