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2-(2-methylsulfanyl)propylmaleate

PropertiesImage
MNX_IDMNXM164096 Image of MNXM164096
referencechebi:133500
formulaC8H10O4S
global charge-2
mol weight202.231
InChIKeyRQAOZCCKOFEXBK-WAYWQWQTSA-L
InChIInChI=1S/C8H12O4S/c1-13-4-2-3-6(8(11)12)5-7(9)10/h5H,2-4H2,1H3,(H,9,10)(H,11,12)/p-2/b6-5-
SMILESCSCCC/C(=C/C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C8H12O4S/c1-13-4-2-3-6(8(11)12)5-7(9)10/h5H,2-4H2,1H3,(H,9,10)(H,11,12)/b6-5- Image of MNXM164096
SMILES (mnx)[CH3:1][S:13][CH2:4][CH2:2][CH2:3]/[C:6](=[CH:5]/[C:7](=[O:9])[OH:10])[C:8](=[O:11])[OH:12]
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:133500
chebi:133500
RQAOZCCKOFEXBK-WAYWQWQTSA-L 		2-(2-methylsulfanyl)propylmaleate
(2Z)-2-[3-(methylsulfanyl)propyl]but-2-enedioate
2-(2-methylthio)propylmaleate(2-)

CHEBI:134536
chebi:134536
RQAOZCCKOFEXBK-WAYWQWQTSA-N 		2-(2-methylthiopropyl)maleic acid
(2Z)-2-[3-(methylsulfanyl)propyl]but-2-enedioic acid

metacyc.compound:CPD-19477
metacycM:CPD-19477
seed.compound:cpd36021
seedM:cpd36021
RQAOZCCKOFEXBK-WAYWQWQTSA-L 		2-[(2'-methylsulfanyl)propyl]maleate
2-[(2'-methylthio)propyl]maleate

seedM:M_cpd36021 		secondary/obsolete/fantasy identifier