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

Properties

Image

Occurences in reactions

MNX_ID

MNXM3239

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₈H₆NO₅

charge

-1

mass

196.02515

reference

InChIKey

NABDJFSYSZIMMH-PBFISZAISA-M

InChI

InChI=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

SMILES

O=C/C=C1\O[C@@H]2CC(=O)N2[C@H]1C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:78625 chebi:78625	(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	(3R,5R)-clavaldehyde (3R,5R)-clavulanate-9-aldehyde clavaldehyde
seed.compound:cpd04064 seedM:cpd04064 kegg.compound:C06661 keggC:C06661	Clavulanate-9-aldehyde
CHEBI:27819 chebi:27819	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	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