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Sulforaphane-N-Acetylcysteine

MNXM161351 is deprecated and here replaced by MNXM1368498
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368498 Image of MNXM1368498
referencechebi:176454
formulaC11H20N2O4S3
global charge0
mol weight340.492
InChIKeyIIHBKTCHILXGOT-UHFFFAOYSA-N
InChIInChI=1S/C11H20N2O4S3/c1-8(14)13-9(10(15)16)7-19-11(18)12-5-3-4-6-20(2)17/h9H,3-7H2,1-2H3,(H,12,18)(H,13,14)(H,15,16)
SMILESCC(=O)NC(CSC(=S)NCCCCS(C)=O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C11H20N2O4S3/c1-8(14)13-9(10(15)16)7-19-11(18)12-5-3-4-6-20(2)17/h9H,3-7H2,1-2H3,(H,12,18)(H,13,14)(H,15,16)/t9?,20? Image of MNXM1368498
SMILES (mnx)[CH3:1][C:8](=[N:13][CH:9]([CH2:7][S:19][C:11](=[N:12][CH2:5][CH2:3][CH2:4][CH2:6][S:20]([CH3:2])=[O:17])[SH:18])[C:10](=[O:15])[OH:16])[OH:14]
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:176454
chebi:176454
IIHBKTCHILXGOT-UHFFFAOYSA-N 		Sulforaphane-N-Acetylcysteine
2-acetamido-3-(4-methylsulinylbutylcarbamothioylsulanyl)propanoic acid
hmdb:HMDB0061113
IIHBKTCHILXGOT-UHFFFAOYSA-N 		Sulforaphane-N-acetylcysteine
2-acetamido-3-{[(4-methanesulfinylbutyl)carbamothioyl]sulfanyl}propanoic acid
Sulphoraphane-N-acetylcysteine

hmdb:HMDB61113 		secondary/obsolete/fantasy identifier