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

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glutaurine

	Properties	Image
MNX_ID	MNXM38125
reference	chebi:27694
formula	C₇H₁₄N₂O₆S
global charge	0
mol weight	254.264
InChIKey	WGXUDTHMEITUBO-YFKPBYRVSA-N
InChI	InChI=1S/C7H14N2O6S/c8-5(7(11)12)1-2-6(10)9-3-4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14,15)/t5-/m0/s1
SMILES	N[C@@H](CCC(=O)NCCS(=O)(=O)O)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C7H14N2O6S/c8-5(7(11)12)1-2-6(10)9-3-4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14,15)/t5-/m0/s1
SMILES (mnx)	[CH2:1]([CH2:2][C:6](=[N:9][CH2:3][CH2:4][S:16]([OH:13])(=[O:14])=[O:15])[OH:10])[C@@H:5]([C:7](=[O:11])[OH:12])[NH2:8]

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:27694 chebi:27694 WGXUDTHMEITUBO-YFKPBYRVSA-N	glutaurine 5-L-glutamyl-taurine 5-glutamyl-taurine Litoralon N-(2-sulfoethyl)-L-glutamine gamma-GT gamma-L-glutamyltaurine gamma-glutamyltaurine glutaurina glutaurinum
seed.compound:cpd03474 seedM:cpd03474 WGXUDTHMEITUBO-YFKPBYRVSA-M	5-Glutamyl-taurine 5-L-Glutamyl-taurine Glutaurine
vmhM:5lgt vmhmetabolite:5lgt WGXUDTHMEITUBO-YFKPBYRVSA-N	5-L-Glutamyl-taurine (2S)-2-amino-4-[(2-sulfoethyl)carbamoyl]butanoic acid
hmdb:HMDB0004195 WGXUDTHMEITUBO-YFKPBYRVSA-N	5-L-Glutamyl-taurine (2S)-2-amino-4-[(2-sulfoethyl)carbamoyl]butanoic acid 5-Glutamyl-taurine Glautaurine Glutaurin Glutaurin, (D)-isomer Glutaurina Glutaurine Glutaurinum Litoralon alpha-Glutamyl taurine alpha-Glutamyltaurine g-GT g-Glutamyltaurine g-L-Glutamyltaurine gamma-GT gamma-Glutamyltaurine gamma-L-Glutamyl-taurine gamma-L-Glutamyltaurine gamma-L-glutamyltaurine gamma-glutamyltaurine
kegg.compound:C05844 keggC:C05844 WGXUDTHMEITUBO-YFKPBYRVSA-N	5-L-Glutamyl-taurine 5-Glutamyl-taurine Glutaurine
CHEBI:140298 chebi:140298 WGXUDTHMEITUBO-YFKPBYRVSA-N	glutaurine zwitterion (2S)-2-azaniumyl-5-oxo-5-[(2-sulfoethyl)amino]pentanoate
CHEBI:140299 chebi:140299 WGXUDTHMEITUBO-YFKPBYRVSA-M	glutaurine(1-) (2S)-2-azaniumyl-5-oxo-5-[(2-sulfonatoethyl)amino]pentanoate
hmdb:HMDB04195 chebi:20571 chebi:2059 keggC:M_C05844 seedM:M_cpd03474 vmhM:M_5lgt	secondary/obsolete/fantasy identifier