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(7R)-7-aminocephalosporanate

Properties

Image

Occurences in reactions

MNX_ID

MNXM4186

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

formula

C₁₀H₁₂N₂O₅S

charge

mass

272.04669

reference

InChIKey

HSHGZXNAXBPPDL-HZGVNTEJSA-N

InChI

InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1

SMILES

CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH3+])[C@H]2SC1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58501 chebi:58501	(7R)-7-aminocephalosporanate (6R)-3-(acetoxymethyl)-7-ammonio-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 7beta-aminocephalosporanic acid zwitterion
metacyc.compound:CPD-7271 metacycM:CPD-7271	(7R)-7 aminocephalosporanate 7-ACA 7-Aminocephalosporanic acid 7-Aminocephalosporinic acid
seed.compound:cpd04878 seedM:cpd04878	7-ACA (7R)-7 aminocephalosporanate (7R)-7-Aminocephalosporanate 7-Aminocephalosporanic acid 7-Aminocephalosporinic acid
kegg.compound:C07756 keggC:C07756	7-Aminocephalosporanic acid (7R)-7-Aminocephalosporanate 7-ACA 7-Aminocephalosporinic acid
sabiork.compound:9860 sabiorkM:9860	7-Aminocephalosporanic acid 7-ACA 7-Aminocephalosporinic acid
CHEBI:2255 chebi:2255	7beta-aminocephalosporanic acid (6R,7R)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (7R)-7-Aminocephalosporanate 3-acetoxymethyl-7beta-amino-3,4-didehydrocepham-4-carboxylic acid 7-ACA 7-Aminocephalosporanic acid 7-Aminocephalosporinic acid
keggC:M_C07756 seedM:M_cpd04878	secondary/obsolete/fantasy identifier