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

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tauropine

	Properties	Image
MNX_ID	MNXM4112
reference	chebi:57779
formula	C₅H₁₀NO₅S
global charge	-1
mol weight	196.204
InChIKey	VHYQDLYSULDZSO-SCSAIBSYSA-M
InChI	InChI=1S/C5H11NO5S/c1-4(5(7)8)6-2-3-12(9,10)11/h4,6H,2-3H2,1H3,(H,7,8)(H,9,10,11)/p-1/t4-/m1/s1
SMILES	C[C@@H]([NH2+]CCS(=O)(=O)[O-])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C5H11NO5S/c1-4(5(7)8)6-2-3-12(9,10)11/h4,6H,2-3H2,1H3,(H,7,8)(H,9,10,11)/t4-/m1/s1
SMILES (mnx)	[CH3:1][C@H:4]([C:5](=[O:7])[OH:8])[NH:6][CH2:2][CH2:3][S:12]([OH:9])(=[O:10])=[O:11]

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
CHEBI:57779 chebi:57779 VHYQDLYSULDZSO-SCSAIBSYSA-M	tauropine (2R)-2-[(2-sulfonatoethyl)ammonio]propanoate (2R)-2-[(2-sulfonatoethyl)azaniumyl]propanoate tauropinate anion tauropinate(1-) tauropine anion
seed.compound:cpd01134 seedM:cpd01134 VHYQDLYSULDZSO-SCSAIBSYSA-M	Tauropine (2R)-2-[(2-sulfonatoethyl)ammonio]propanoate N2-(D-1-Carboxyethyl)taurine N2-(D-1-carboxyethyl)taurine tauropine
kegg.compound:C01616 keggC:C01616 VHYQDLYSULDZSO-SCSAIBSYSA-N	Tauropine N2-(D-1-Carboxyethyl)taurine
metacyc.compound:CPD-305 metacycM:CPD-305 VHYQDLYSULDZSO-SCSAIBSYSA-M	tauropine (2R)-2-[(2-sulfonatoethyl)ammonio]propanoate N2-(D-1-carboxyethyl)taurine
CHEBI:16461 chebi:16461 VHYQDLYSULDZSO-SCSAIBSYSA-N	tauropine N(2)-(D-1-carboxyethyl)-2-aminoethanesulfonate N-(1-carboxyethyl)taurine N-(2-sulfoethyl)-D-alanine N2-(D-1-Carboxyethyl)taurine Tauropine rhodoic acid
chebi:15201 chebi:26860 chebi:9413 keggC:M_C01616 seedM:M_cpd01134	secondary/obsolete/fantasy identifier