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sulforaphane-cysteine-glycine

PropertiesImage
MNX_IDMNXM1130038 Image of MNXM1130038
referencechebi:189716
formulaC11H21N3O4S3
global charge0
mol weight355.507
InChIKeyXXNFGCPBPYXDGU-UHFFFAOYSA-N
InChIInChI=1S/C11H21N3O4S3/c1-21(18)5-3-2-4-13-11(19)20-7-8(12)10(17)14-6-9(15)16/h8H,2-7,12H2,1H3,(H,13,19)(H,14,17)(H,15,16)
SMILESCS(=O)CCCCNC(=S)SCC(N)C(=O)NCC(=O)O
MNX internals
InChI (mnx)InChI=1/C11H21N3O4S3/c1-21(18)5-3-2-4-13-11(19)20-7-8(12)10(17)14-6-9(15)16/h8H,2-7,12H2,1H3,(H,13,19)(H,14,17)(H,15,16)/t8?,21? Image of MNXM1130038
SMILES (mnx)[CH3:1][S:21]([CH2:5][CH2:3][CH2:2][CH2:4][N:13]=[C:11]([SH:19])[S:20][CH2:7][CH:8]([C:10](=[N:14][CH2:6][C:9](=[O:15])[OH:16])[OH:17])[NH2:12])=[O:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:189716
chebi:189716
XXNFGCPBPYXDGU-UHFFFAOYSA-N 		sulforaphane-cysteine-glycine
2-[[2-amino-3-(4-methylsulinylbutylcarbamothioylsulanyl)propanoyl]amino]acetic acid
hmdb:HMDB0240559
XXNFGCPBPYXDGU-UHFFFAOYSA-N 		Sulforaphane-cysteine-glycine
2-[(2-Amino-1-hydroxy-3-{[(4-methanesulfinylbutyl)thio(carbonoimidyl)]sulfanyl}propylidene)amino]acetate
2-[(2-Amino-1-hydroxy-3-{[(4-methanesulphinylbutyl)thio(carbonoimidyl)]sulphanyl}propylidene)amino]acetate
2-[(2-Amino-1-hydroxy-3-{[(4-methanesulphinylbutyl)thio(carbonoimidyl)]sulphanyl}propylidene)amino]acetic acid
2-[(2-amino-1-hydroxy-3-{[(4-methanesulfinylbutyl)thio(carbonoimidyl)]sulfanyl}propylidene)amino]acetic acid
Sulphoraphane-cysteine-glycine
[(2-amino-1-hydroxy-3-{[(4-methanesulfinylbutyl)thio(carbonoimidyl)]sulfanyl}propylidene)amino]acetic acid