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

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Met-Leu

	Properties	Image
MNX_ID	MNXM732131
reference	sabiorkM:27860
formula	C₁₁H₂₂N₂O₃S
global charge	0
mol weight	262.375
InChIKey	PBOUVYGPDSARIS-UHFFFAOYSA-N
InChI	InChI=1S/C11H22N2O3S/c1-7(2)6-9(11(15)16)13-10(14)8(12)4-5-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)
SMILES	CSCCC(N)C(O)=NC(CC(C)C)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C11H22N2O3S/c1-7(2)6-9(11(15)16)13-10(14)8(12)4-5-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)/t8?,9?
SMILES (mnx)	[CH3:1][CH:7]([CH3:2])[CH2:6][CH:9]([C:11](=[O:15])[OH:16])[N:13]=[C:10]([CH:8]([CH2:4][CH2:5][S:17][CH3:3])[NH2:12])[OH:14]

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:27860 sabiorkM:27860 PBOUVYGPDSARIS-UHFFFAOYSA-N	Met-Leu
hmdb:HMDB0028977 PBOUVYGPDSARIS-UHFFFAOYSA-N	Methionyl-Leucine 2-[2-amino-4-(methylsulfanyl)butanamido]-4-methylpentanoic acid 2-{[2-amino-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-4-methylpentanoate 2-{[2-amino-1-hydroxy-4-(methylsulphanyl)butylidene]amino}-4-methylpentanoate 2-{[2-amino-1-hydroxy-4-(methylsulphanyl)butylidene]amino}-4-methylpentanoic acid L-Methionyl-L-leucine ML Dipeptide Met-leu Methionine leucine dipeptide Methionine-leucine dipeptide Methionylleucine m-L Dipeptide met-leu
hmdb:HMDB28977	secondary/obsolete/fantasy identifier