Search MNXref
 Feedback

3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvate

PropertiesImage
MNX_IDMNXM722936 Image of MNXM722936
referencechebi:84357
formulaC9H11O5
global charge-1
mol weight199.182
InChIKeyGDGJNVNXUIMBFT-LAHCRNKXSA-M
InChIInChI=1S/C9H12O5/c10-5-2-1-4(7-8(5)14-7)3-6(11)9(12)13/h4-5,7-8,10H,1-3H2,(H,12,13)/p-1/t4-,5+,7+,8-/m0/s1
SMILESO=C([O-])C(=O)C[C@@H]1CC[C@@H](O)[C@@H]2O[C@H]12
MNX internals
InChI (mnx)InChI=1/C9H12O5/c10-5-2-1-4(7-8(5)14-7)3-6(11)9(12)13/h4-5,7-8,10H,1-3H2,(H,12,13)/t4-,5+,7+,8-/m0/s1 Image of MNXM722936
SMILES (mnx)[CH2:1]1[CH2:2][C@@H:5]([OH:10])[C@H:8]2[C@@H:7]([C@@H:4]1[CH2:3][C:6]([C:9]([OH:12])=[O:13])=[O:11])[O:14]2
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:84357
chebi:84357
GDGJNVNXUIMBFT-LAHCRNKXSA-M 		3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvate
3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate
epoxy-4S-H4HPP

kegg.compound:C21087
keggC:C21087
GDGJNVNXUIMBFT-LAHCRNKXSA-N 		3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate
Epoxy-4S-H4HPP

CHEBI:85359
chebi:85359
GDGJNVNXUIMBFT-LAHCRNKXSA-N 		3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvic acid
3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoic acid

metacyc.compound:CPD-17536
metacycM:CPD-17536
seed.compound:cpd32559
seedM:cpd32559
GDGJNVNXUIMBFT-LAHCRNKXSA-M 		3-[(2S,5R)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate

keggC:M_C21087
seedM:M_cpd32559 		secondary/obsolete/fantasy identifier