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

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L-djenkolic acid

	Properties	Image
MNX_ID	MNXM11409
reference	chebi:6211
formula	C₇H₁₄N₂O₄S₂
global charge	0
mol weight	254.333
InChIKey	JMQMNWIBUCGUDO-WHFBIAKZSA-N
InChI	InChI=1S/C7H14N2O4S2/c8-4(6(10)11)1-14-3-15-2-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1
SMILES	N[C@@H](CSCSC[C@H](N)C(=O)O)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C7H14N2O4S2/c8-4(6(10)11)1-14-3-15-2-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1
SMILES (mnx)	[CH2:1]([C@@H:4]([C:6](=[O:10])[OH:11])[NH2:8])[S:14][CH2:3][S:15][CH2:2][C@@H:5]([C:7](=[O:12])[OH:13])[NH2:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:6211 chebi:6211 JMQMNWIBUCGUDO-WHFBIAKZSA-N	L-djenkolic acid (2R,2'R)-3,3'-(methylenedisulfanediyl)bis(2-aminopropanoic acid) 3,3'-(Methylenedithio)dialanine 3,3'-Methylenedithiobis(2-aminopropanoic acid) Djenkolic acid L-Cysteine thioacetal of formaldehyde S,S'-methylene-bis-L-cysteine S,S'-methylenebis(cysteine) beta,beta'-Methylenedithiodialanine
bigg.metabolite:djenk biggM:djenk	Djenkolate
seed.compound:cpd05190 seedM:cpd05190 JMQMNWIBUCGUDO-WHFBIAKZSA-N	Djenkolate 3,3'-(methylenedithio)-di-L-alanine 3,3'-methylenedithiobis(2-aminopropanoic acid) Djenkolic acid L-Djenkolic acid L-cysteine thioacetal of formaldehyde L-djenkolate L-djenkolic acid alanine, 3,3'-(methylenedithio)di- beta,beta'-methylenedithiodialanine djenk djenkolate djenkolic acid
sabiork.compound:10374 sabiorkM:10374 kegg.compound:C08275 keggC:C08275 JMQMNWIBUCGUDO-WHFBIAKZSA-N	L-Djenkolic acid Djenkolic acid
metacyc.compound:CPD-3740 metacycM:CPD-3740 JMQMNWIBUCGUDO-WHFBIAKZSA-N	L-djenkolate 3,3'-(methylenedithio)-di-L-alanine 3,3'-methylenedithiobis(2-aminopropanoic acid) L-cysteine thioacetal of formaldehyde L-djenkolic acid beta,beta'-methylenedithiodialanine
biggM:M_djenk keggC:M_C08275 seedM:M_cpd05190	secondary/obsolete/fantasy identifier