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2-(7'-Methylthio)heptylmalic acid

PropertiesImage
MNX_IDMNXM5450 Image of MNXM5450
referencechebi:80975
formulaC12H22O5S
global charge0
mol weight278.37
InChIKeyPWAKELUEEHWVFQ-UHFFFAOYSA-N
InChIInChI=1S/C12H22O5S/c1-18-8-6-4-2-3-5-7-12(17,11(15)16)9-10(13)14/h17H,2-9H2,1H3,(H,13,14)(H,15,16)
SMILESCSCCCCCCCC(O)(CC(=O)O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C12H22O5S/c1-18-8-6-4-2-3-5-7-12(17,11(15)16)9-10(13)14/h17H,2-9H2,1H3,(H,13,14)(H,15,16)/t12? Image of MNXM5450
SMILES (mnx)[CH3:1][S:18][CH2:8][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][C:12]([CH2:9][C:10](=[O:13])[OH:14])([C:11](=[O:15])[OH:16])[OH:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80975
chebi:80975
kegg.compound:C17230
keggC:C17230
PWAKELUEEHWVFQ-UHFFFAOYSA-N 		2-(7'-Methylthio)heptylmalic acid
2-(7'-Methylthio)heptylmalate

seed.compound:cpd17420
seedM:cpd17420
PWAKELUEEHWVFQ-UHFFFAOYSA-L 		2-(7'-Methylthio)heptylmalate
2-(7'-Methylthio)heptylmalic acid
2-(7'-methylthio)heptylmalate
2-(7'-methylthio)heptylmalic acid
2-[(7'-methylsulfanyl)heptyl]malate
2-[(7'-methylthio)heptyl]malate
2-[(7'-methylthio)heptyl]malic acid
hmdb:HMDB0304054
PWAKELUEEHWVFQ-UHFFFAOYSA-L 		2-(7'-methylthio)heptylmalate
2-(7'-methylthio)Heptylmalic acid
2-Hydroxy-2-[7-(methylsulfanyl)heptyl]butanedioic acid
2-Hydroxy-2-[7-(methylsulphanyl)heptyl]butanedioate
2-Hydroxy-2-[7-(methylsulphanyl)heptyl]butanedioic acid
2-hydroxy-2-[7-(methylsulfanyl)heptyl]butanedioate

vmhM:27mthmlt
vmhmetabolite:27mthmlt
PWAKELUEEHWVFQ-UHFFFAOYSA-N 		2-(7-Methylthio)heptylmalate

metacyc.compound:CPDQT-35
metacycM:CPDQT-35
PWAKELUEEHWVFQ-UHFFFAOYSA-L 		2-[(7'-methylsulfanyl)heptyl]malate
2-[(7'-methylthio)heptyl]malate
2-[(7'-methylthio)heptyl]malic acid

keggC:M_C17230
seedM:M_cpd17420
vmhM:M_27mthmlt 		secondary/obsolete/fantasy identifier