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

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3-mercaptolactic acid-cysteine disulfide

	Properties	Image
MNX_ID	MNXM10053
reference	chebi:140723
formula	C₆H₁₁NO₅S₂
global charge	0
mol weight	241.29
InChIKey	MAFDYIDMXCXBRB-WUCPZUCCSA-N
InChI	InChI=1S/C6H11NO5S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,4?/m0/s1
SMILES	N[C@@H](CSSCC(O)C(=O)O)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C6H11NO5S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,4?/m0/s1
SMILES (mnx)	[CH2:1]([C@@H:3]([C:5](=[O:9])[OH:10])[NH2:7])[S:13][S:14][CH2:2][CH:4]([C:6](=[O:11])[OH:12])[OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:140723 chebi:140723 MAFDYIDMXCXBRB-WUCPZUCCSA-N	3-mercaptolactic acid-cysteine disulfide
hmdb:HMDB0006512 MAFDYIDMXCXBRB-WUCPZUCCSA-N	3-Mercaptolactate-cysteine disulfide 3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine 3-Mercaptolactate-cysteine disulphide 3-Mercaptolactic acid-cysteine disulfide 3-Mercaptolactic acid-cysteine disulphide 3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}-2-hydroxypropanoate 3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}-2-hydroxypropanoic acid 3-{[(2R)-2-amino-2-carboxyethyl]disulphanyl}-2-hydroxypropanoate 3-{[(2R)-2-amino-2-carboxyethyl]disulphanyl}-2-hydroxypropanoic acid Hcetc S-(2-Hydroxy-2-carboxyethylthio)cysteine beta-Mercaptolactate cysteine disulfide hcetc
bigg.metabolite:mercplaccys biggM:mercplaccys CHEBI:140724 chebi:140724 MAFDYIDMXCXBRB-WUCPZUCCSA-M	3-mercaptolactate-cysteine disulfide
vmhM:mercplaccys vmhmetabolite:mercplaccys MAFDYIDMXCXBRB-WUCPZUCCSA-M	3-mercaptolactate-cysteine disulfide 3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}-2-hydroxypropanoic acid
hmdb:HMDB06512 biggM:M_mercplaccys vmhM:M_mercplaccys	secondary/obsolete/fantasy identifier