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Iberin-N-acetyl-cysteine

PropertiesImage
MNX_IDMNXM1130028 Image of MNXM1130028
referencehmdb:HMDB0240535
formulaC10H18N2O4S3
global charge0
mol weight326.465
InChIKeyRBVJIAJZFANPKT-UHFFFAOYSA-N
InChIInChI=1S/C10H18N2O4S3/c1-7(13)12-8(9(14)15)6-18-10(17)11-4-3-5-19(2)16/h8H,3-6H2,1-2H3,(H,11,17)(H,12,13)(H,14,15)
SMILESCC(O)=NC(CSC(S)=NCCCS(C)=O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C10H18N2O4S3/c1-7(13)12-8(9(14)15)6-18-10(17)11-4-3-5-19(2)16/h8H,3-6H2,1-2H3,(H,11,17)(H,12,13)(H,14,15)/t8?,19? Image of MNXM1130028
SMILES (mnx)[CH3:1][C:7](=[N:12][CH:8]([CH2:6][S:18][C:10](=[N:11][CH2:4][CH2:3][CH2:5][S:19]([CH3:2])=[O:16])[SH:17])[C:9](=[O:14])[OH:15])[OH:13]
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
hmdb:HMDB0240535
RBVJIAJZFANPKT-UHFFFAOYSA-N 		Iberin-N-acetyl-cysteine
2-[(1-Hydroxyethylidene)amino]-3-{[(3-methanesulfinylpropyl)thio(carbonoimidyl)]sulfanyl}propanoate
2-[(1-Hydroxyethylidene)amino]-3-{[(3-methanesulphinylpropyl)thio(carbonoimidyl)]sulphanyl}propanoate
2-[(1-Hydroxyethylidene)amino]-3-{[(3-methanesulphinylpropyl)thio(carbonoimidyl)]sulphanyl}propanoic acid
2-[(1-hydroxyethylidene)amino]-3-{[(3-methanesulfinylpropyl)thio(carbonoimidyl)]sulfanyl}propanoic acid