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

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selenodiglutathione

MNXM7767 is deprecated and here replaced by MNXM740172
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM740172
reference	chebi:71259
formula	C₂₀H₃₀N₆O₁₂S₂Se
global charge	-2
mol weight	689.584
InChIKey	GJEZZQVPWMCGSB-BJDJZHNGSA-L
InChI	InChI=1S/C20H32N6O12S2Se/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-41-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1
SMILES	[NH3+][C@@H](CCC(=O)N[C@@H](CS[Se]SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C20H32N6O12S2Se/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-41-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1
SMILES (mnx)	[CH2:1]([CH2:3][C:13](=[N:25][C@@H:11]([CH2:7][S:39][Se:41][S:40][CH2:8][C@@H:12]([C:18](=[N:24][CH2:6][C:16](=[O:31])[OH:32])[OH:34])[N:26]=[C:14]([CH2:4][CH2:2][C@@H:10]([C:20](=[O:37])[OH:38])[NH2:22])[OH:28])[C:17](=[N:23][CH2:5][C:15](=[O:29])[OH:30])[OH:33])[OH:27])[C@@H:9]([C:19](=[O:35])[OH:36])[NH2:21]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-5357667 reactomeM:R-ALL-5357667 CHEBI:71259 chebi:71259 GJEZZQVPWMCGSB-BJDJZHNGSA-L	selenodiglutathione GSSeSG(2-) selenodiglutathione(2-)
kegg.compound:C18870 keggC:C18870 GJEZZQVPWMCGSB-BJDJZHNGSA-N	Selenodiglutathione GSSeSG
seed.compound:cpd20131 seedM:cpd20131 GJEZZQVPWMCGSB-BJDJZHNGSA-L	Selenodiglutathione GSSeSG selenodiglutathione
hmdb:HMDB0304484 GJEZZQVPWMCGSB-BJDJZHNGSA-N	selenodiglutathione (2S)-2-amino-4-{[(1R)-2-[({[(2R)-2-[(4S)-4-amino-4-carboxybutanamido]-2-(carboxymethylcarbamoyl)ethyl]sulfanyl}selanyl)sulfanyl]-1-(carboxymethylcarbamoyl)ethyl]carbamoyl}butanoic acid (2S)-2-amino-4-{[(1R)-2-[({[(2R)-2-[(4S)-4-amino-4-carboxybutanamido]-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}selanyl)sulfanyl]-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid GS-Se-SG GSSeSG N,N'-((selenodithio)bis(1-((carboxymethyl)carbamoyl)ethylene))di-L-glutamine N,N'-[(selenodithio)bis{1-[(carboxymethyl)carbamoyl]ethylene}]di-L-glutamine
CHEBI:26634 chebi:26634 GJEZZQVPWMCGSB-BJDJZHNGSA-N	selenodiglutathione GS-Se-SG GSSeSG N,N'-((selenodithio)bis(1-((carboxymethyl)carbamoyl)ethylene))di-L-glutamine N,N'-[(selenodithio)bis{1-[(carboxymethyl)carbamoyl]ethylene}]di-L-glutamine
metacyc.compound:CPD-13908 metacycM:CPD-13908 GJEZZQVPWMCGSB-BJDJZHNGSA-L	selenodiglutathione GSSeSG
keggC:M_C18870 seedM:M_cpd20131	secondary/obsolete/fantasy identifier