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

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N-acetyl-L-leucine

	Properties	Image
MNX_ID	MNXM4711
reference	chebi:58270
formula	C₈H₁₄NO₃
global charge	-1
mol weight	172.204
InChIKey	WXNXCEHXYPACJF-ZETCQYMHSA-M
InChI	InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/p-1/t7-/m0/s1
SMILES	CC(=O)N[C@@H](CC(C)C)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1
SMILES (mnx)	[CH3:1][CH:5]([CH3:2])[CH2:4][C@@H:7]([C:8](=[O:11])[OH:12])[N:9]=[C:6]([CH3:3])[OH:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58270 chebi:58270 WXNXCEHXYPACJF-ZETCQYMHSA-M	N-acetyl-L-leucine (2S)-2-acetamido-4-methylpentanoate N-acetyl-L-leucinate N-acetyl-L-leucinate anion N-acetyl-L-leucinate(1-)
sabiork.compound:2495 sabiorkM:2495 kegg.compound:C02710 keggC:C02710 WXNXCEHXYPACJF-ZETCQYMHSA-N	N-Acetyl-L-leucine
seed.compound:cpd01754 seedM:cpd01754 WXNXCEHXYPACJF-ZETCQYMHSA-M	N-Acetyl-L-leucine N-acetyl-L-leucine
hmdb:HMDB0011756 WXNXCEHXYPACJF-ZETCQYMHSA-N	N-Acetylleucine (2S)-2-acetamido-4-methylpentanoic acid Acetyl-DL-leucine Acetyl-L-leucine Acetylleucine Lasdol N-Acetyl-L-leucin N-Acetyl-L-leucine N-Acetyl-leu N-acetyl-leu Tanganil
CHEBI:17786 chebi:17786 WXNXCEHXYPACJF-ZETCQYMHSA-N	N-acetyl-L-leucine (2S)-2-(acetylamino)-4-methylpentanoic acid N-Acetyl-L-leucine N-acetyl-Leu N-acetylleucine acetylleucine
metacyc.compound:CPD-433 metacycM:CPD-433 WXNXCEHXYPACJF-ZETCQYMHSA-M	N-acetyl-L-leucine N-acetyl-leucine
hmdb:HMDB11756 chebi:12463 chebi:21556 chebi:7154 chebi:90094 keggC:M_C02710 seedM:M_cpd01754	secondary/obsolete/fantasy identifier