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

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L-methionine sulfoximine

	Properties	Image
MNX_ID	MNXM1107530
reference	chebi:87826
formula	C₅H₁₂N₂O₃S
global charge	0
mol weight	180.229
InChIKey	SXTAYKAGBXMACB-DPVSGNNYSA-N
InChI	InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1
SMILES	CS(=N)(=O)CC[C@H]([NH3+])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1
SMILES (mnx)	[CH3:1][S:11]([CH2:3][CH2:2][C@@H:4]([C:5](=[O:8])[OH:9])[NH2:6])(=[NH:7])=[O:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:87826 chebi:87826 SXTAYKAGBXMACB-DPVSGNNYSA-N	L-methionine sulfoximine (2S)-2-azaniumyl-4-(S-methanesulfonimidoyl)butanoate L-methionine sulfoximine zwitterion methionine sulfoximine zwitterion
sabiork.compound:6673 sabiorkM:6673 SXTAYKAGBXMACB-DPVSGNNYSA-N	L-Methionine sulfoximine
kegg.compound:C03510 keggC:C03510 SXTAYKAGBXMACB-DPVSGNNYSA-N	L-Methionine sulfoximine (2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid
seed.compound:cpd02213 seedM:cpd02213 SXTAYKAGBXMACB-DPVSGNNYSA-N	L-Methionine sulfoximine (2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid L-methionine-D,L-sulphoximine MSX methionine sulfoximine
CHEBI:28490 chebi:28490 SXTAYKAGBXMACB-DPVSGNNYSA-N	L-methionine sulfoximine (2S)-2-amino-4-(S-methylsulfonimidoyl)butanoic acid L-Methionine sulfoximine
metacyc.compound:CPD-9035 metacycM:CPD-9035 SXTAYKAGBXMACB-DPVSGNNYSA-N	L-methionine-D,L-sulphoximine MSX methionine sulfoximine
chebi:21364 chebi:6273 keggC:M_C03510 seedM:M_cpd02213	secondary/obsolete/fantasy identifier