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gamma-L-glutamyl-hercynylcysteine S-oxide

MNXM145857 is deprecated and replaced by MNXM1100921
PropertiesImage
MNX_IDMNXM1100921 Image of MNXM1100921
referencechebi:82703
formulaC17H26N5O8S
global charge-1
mol weight460.489
InChIKeySJHLSLUUWIBQNS-TYLCEOGASA-M
InChIInChI=1S/C17H27N5O8S/c1-22(2,3)12(16(28)29)6-9-7-19-17(20-9)31(30)8-11(15(26)27)21-13(23)5-4-10(18)14(24)25/h7,10-12H,4-6,8,18H2,1-3H3,(H4-,19,20,21,23,24,25,26,27,28,29)/p-1/t10-,11-,12-,31?/m0/s1
SMILESC[N+](C)(C)[C@@H](CC1=CNC(S(=O)C[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)[O-])=N1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C17H27N5O8S/c1-22(2,3)12(16(28)29)6-9-7-19-17(20-9)31(30)8-11(15(26)27)21-13(23)5-4-10(18)14(24)25/h7,10-12H,4-6,8,18H2,1-3H3,(H4-,19,20,21,23,24,25,26,27,28,29)/t10-,11-,12-,31?/m0/s1 Image of MNXM1100921
SMILES (mnx)[CH3:1][N+:22]([CH3:2])([CH3:3])[C@@H:12]([CH2:6][C:9]1=[CH:7][N:19]=[C:17]([S:31]([CH2:8][C@@H:11]([C:15](=[O:26])[OH:27])[N:21]=[C:13]([CH2:5][CH2:4][C@@H:10]([C:14](=[O:24])[OH:25])[NH2:18])[OH:23])=[O:30])[NH:20]1)[C:16](=[O:28])[O-:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:82703
chebi:82703
SJHLSLUUWIBQNS-TYLCEOGASA-M 		gamma-L-glutamyl-hercynylcysteine S-oxide
(2S)-2-ammonio-5-{[(1R)-1-carboxylato-2-({4-[(2S)-2-carboxylato-2-(trimethylammonio)ethyl]-1H-imidazol-2-yl}sulfinyl)ethyl]amino}-5-oxopentanoate
N(alpha)-(L-gamma-glutamyl)-hercynyl-L-cysteine sulfoxide(1-)

sabiork.compound:31693
sabiorkM:31693
SJHLSLUUWIBQNS-TYLCEOGASA-N 		N(alpha)-(L-gamma-Glutamyl)-hercynyl-L-cysteine sulfoxide

CHEBI:83290
chebi:83290
SJHLSLUUWIBQNS-TYLCEOGASA-N 		N(alpha)-(L-gamma-glutamyl)-hercynyl-L-cysteine sulfoxide
L-gamma-glutamyl-3-({4-[(2S)-2-carboxylato-2-(trimethylazaniumyl)ethyl]-1H-imidazol-2-yl}sulfinyl)-L-alanine

seed.compound:cpd35733
seedM:cpd35733
SJHLSLUUWIBQNS-TYLCEOGASA-M 		S-(hercyn-2-yl)-gamma-L-glutamyl-L-cysteine S-oxide
gamma-L-glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide
gamma-glutamyl-hercynylcysteine S-oxide
gamma-glutamyl-hercynylcysteine sulfoxide

kegg.compound:C20995
keggC:C20995
SJHLSLUUWIBQNS-TYLCEOGASA-O 		gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide

metacyc.compound:CPD-15279
metacycM:CPD-15279
SJHLSLUUWIBQNS-TYLCEOGASA-M 		gamma-L-glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide
S-(hercyn-2-yl)-gamma-L-glutamyl-L-cysteine S-oxide
gamma-glutamyl-hercynylcysteine S-oxide
gamma-glutamyl-hercynylcysteine sulfoxide

keggC:M_C20995
seedM:M_cpd35733 		secondary/obsolete/fantasy identifier