Search MNXref
 Feedback

(3R,5R)-clavulanate-9-aldehyde

PropertiesImage
MNX_IDMNXM3239 Image of MNXM3239
referencechebi:78625
formulaC8H6NO5
global charge-1
mol weight196.138
InChIKeyNABDJFSYSZIMMH-PBFISZAISA-M
InChIInChI=1S/C8H7NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1-2,6-7H,3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1
SMILESO=C/C=C1\O[C@@H]2CC(=O)N2[C@H]1C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C8H7NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1-2,6-7H,3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1 Image of MNXM3239
SMILES (mnx)[CH:1](\[CH:2]=[O:10])=[C:4]1/[C@H:7]([C:8](=[O:12])[OH:13])[N:9]2[C:5](=[O:11])[CH2:3][C@H:6]2[O:14]1
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:78625
chebi:78625
NABDJFSYSZIMMH-PBFISZAISA-M 		(3R,5R)-clavulanate-9-aldehyde
(2R,3Z,5R)-7-oxo-3-(2-oxoethylidene)-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
(3R,5R)-clavaldehyde(1-)
clavaldehyde(1-)

seed.compound:cpd25619
seedM:cpd25619
NABDJFSYSZIMMH-PBFISZAISA-M 		(3R,5R)-clavaldehyde
(3R,5R)-clavulanate-9-aldehyde
clavaldehyde

seed.compound:cpd04064
seedM:cpd04064
kegg.compound:C06661
keggC:C06661
NABDJFSYSZIMMH-PBFISZAISA-M
NABDJFSYSZIMMH-PBFISZAISA-N 		Clavulanate-9-aldehyde

CHEBI:27819
chebi:27819
NABDJFSYSZIMMH-PBFISZAISA-N 		clavaldehyde
(2R,3Z,5R)-7-oxo-3-(2-oxoethylidene)-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(3R,5R)-clavulanate-9-aldehyde
(3R,5R)-clavulanic acid-9-aldehyde
Clavulanate-9-aldehyde

metacyc.compound:CPD-9260
metacycM:CPD-9260
NABDJFSYSZIMMH-PBFISZAISA-M 		clavaldehyde
(3R,5R)-clavaldehyde
(3R,5R)-clavulanate-9-aldehyde

chebi:23327
chebi:3735
keggC:M_C06661
seedM:M_cpd04064
seedM:M_cpd25619 		secondary/obsolete/fantasy identifier