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1,4,5,6-tetrahydro-6-oxonicotinate

PropertiesImage
MNX_IDMNXM2168 Image of MNXM2168
referencechebi:57777
formulaC6H6NO3
global charge-1
mol weight140.118
InChIKeySDKCWSUZEUBWLP-UHFFFAOYSA-M
InChIInChI=1S/C6H7NO3/c8-5-2-1-4(3-7-5)6(9)10/h3H,1-2H2,(H,7,8)(H,9,10)/p-1
SMILESO=C1CCC(C(=O)[O-])=CN1
MNX internals
InChI (mnx)InChI=1/C6H7NO3/c8-5-2-1-4(3-7-5)6(9)10/h3H,1-2H2,(H,7,8)(H,9,10) Image of MNXM2168
SMILES (mnx)[CH2:1]1[CH2:2][C:5]([OH:8])=[N:7][CH:3]=[C:4]1[C:6](=[O:9])[OH:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57777
chebi:57777
SDKCWSUZEUBWLP-UHFFFAOYSA-M
1,4,5,6-tetrahydro-6-oxonicotinate
1,4,5,6-tetrahydro-6-oxonicotinate anion
6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

seed.compound:cpd02598
seedM:cpd02598
SDKCWSUZEUBWLP-UHFFFAOYSA-M
1,4,5,6-Tetrahydro-6-oxonicotinate
1,4,5,6-Tetrahydro-6-oxonicotinic acid
1,4,5,6-tetrahydro-6-oxonicotinate
6-Oxo-1,4,5,6-tetrahydronicotinate
6-oxo-1,4,5,6-tetrahydronicotinate

sabiork.compound:7167
sabiorkM:7167
SDKCWSUZEUBWLP-UHFFFAOYSA-N
1,4,5,6-Tetrahydro-6-oxonicotinate
THON

CHEBI:16453
chebi:16453
SDKCWSUZEUBWLP-UHFFFAOYSA-N
1,4,5,6-tetrahydro-6-oxonicotinic acid
1,4,5,6-Tetrahydro-6-oxonicotinate
1,4,5,6-Tetrahydro-6-oxonicotinic acid
6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylic acid

kegg.compound:C04226
keggC:C04226
SDKCWSUZEUBWLP-UHFFFAOYSA-N
6-Oxo-1,4,5,6-tetrahydronicotinate
1,4,5,6-Tetrahydro-6-oxonicotinate
1,4,5,6-Tetrahydro-6-oxonicotinic acid

metacyc.compound:CPD-283
metacycM:CPD-283
SDKCWSUZEUBWLP-UHFFFAOYSA-M
6-oxo-1,4,5,6-tetrahydronicotinate
1,4,5,6-tetrahydro-6-oxonicotinate

chebi:11168
chebi:18925
chebi:533
keggC:M_C04226
seedM:M_cpd02598
secondary/obsolete/fantasy identifier