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3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid

PropertiesImage
MNX_IDMNXM117300 Image of MNXM117300
referencechebi:165379
formulaC9H14O5
global charge0
mol weight202.206
InChIKeyFUMUSIMACHNZQF-QHHAFSJGSA-N
InChIInChI=1S/C9H14O5/c1-2-6(5-10)7(3-8(11)12)4-9(13)14/h2,7,10H,3-5H2,1H3,(H,11,12)(H,13,14)/b6-2+
SMILESC/C=C(\CO)C(CC(=O)O)CC(=O)O
MNX internals
InChI (mnx)InChI=1/C9H14O5/c1-2-6(5-10)7(3-8(11)12)4-9(13)14/h2,7,10H,3-5H2,1H3,(H,11,12)(H,13,14)/b6-2+ Image of MNXM117300
SMILES (mnx)[CH3:1]/[CH:2]=[C:6](\[CH2:5][OH:10])[CH:7]([CH2:3][C:8](=[O:11])[OH:12])[CH2:4][C:9](=[O:13])[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:165379
chebi:165379
FUMUSIMACHNZQF-QHHAFSJGSA-N
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid
3-[(Z)-1-hydroxybut-2-en-2-yl]pentanedioic acid
hmdb:HMDB0033092
FUMUSIMACHNZQF-QHHAFSJGSA-N
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid
3-(1-Hydroxymethyl-1-propenyl)glutaric acid
3-(1-Hydroxymethyl-1-propenyl)pentanedioate
3-[(2Z)-1-Hydroxybut-2-en-2-yl]pentanedioate
3-[(2Z)-1-hydroxybut-2-en-2-yl]pentanedioic acid

hmdb:HMDB33092
secondary/obsolete/fantasy identifier