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1-dehydro-L-sorbose

PropertiesImage
MNX_IDMNXM7489 Image of MNXM7489
referencechebi:48657
formulaC6H10O6
global charge0
mol weight178.14
InChIKeyDCNMIDLYWOTSGK-KVQBGUIXSA-N
InChIInChI=1S/C6H10O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,4-6,8,10-12H,2H2/t4-,5+,6+/m0/s1
SMILESO=CC(=O)[C@@H](O)[C@H](O)[C@@H](O)CO
MNX internals
InChI (mnx)InChI=1/C6H10O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,4-6,8,10-12H,2H2/t4-,5+,6+/m0/s1 Image of MNXM7489
SMILES (mnx)[CH:1]([C:3]([C@H:5]([C@@H:6]([C@H:4]([CH2:2][OH:8])[OH:10])[OH:12])[OH:11])=[O:9])=[O:7]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:48657
chebi:48657
DCNMIDLYWOTSGK-KVQBGUIXSA-N 		1-dehydro-L-sorbose
(3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanal
2-dehydro-L-gulose
L-sorbosone
L-xylo-hexos-2-ulose

kegg.compound:C19679
keggC:C19679
DCNMIDLYWOTSGK-KVQBGUIXSA-N 		L-Sorbosone
1-Dehydro-L-sorbose

seed.compound:cpd20927
seedM:cpd20927
DCNMIDLYWOTSGK-KVQBGUIXSA-N 		L-Sorbosone
1-Dehydro-L-sorbose
1-dehydro-L-sorbose
2-dehydro-L-gulose
L-sorbosone

metacyc.compound:L-SORBOSONE
metacycM:L-SORBOSONE
DCNMIDLYWOTSGK-KVQBGUIXSA-N 		L-sorbosone
1-dehydro-L-sorbose
2-dehydro-L-gulose
L-xylo-hexos-2-ulose

keggC:M_C19679
seedM:M_cpd20927 		secondary/obsolete/fantasy identifier