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(7R)-7-(5-carboxy-5-oxopentanamido)deacetylcephalosporanate

Properties

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Occurences in reactions

MNX_ID

MNXM2752

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₁₆H₁₆N₂O₉S

charge

-2

mass

412.05875

reference

chebi:57536

InChIKey

UKRMDFPJXIVYCZ-BXUZGUMPSA-L

InChI

InChI=1S/C16H18N2O9S/c1-7(19)27-5-8-6-28-14-11(13(22)18(14)12(8)16(25)26)17-10(21)4-2-3-9(20)15(23)24/h11,14H,2-6H2,1H3,(H,17,21)(H,23,24)(H,25,26)/p-2/t11-,14-/m1/s1

SMILES

CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CCCC(=O)C(=O)[O-])[C@H]2SC1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57536 chebi:57536	(7R)-7-(5-carboxy-5-oxopentanamido)deacetylcephalosporanate (6R,7R)-3-(acetoxymethyl)-7-[(5-carboxylato-5-oxopentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2-) (7R)-7-(5-carboxylato-5-oxopentanamido)cephalosporanate dianion
kegg.compound:C04712 keggC:C04712	(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate
hmdb:HMDB0060316	(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate (6R,7R)-3-[(acetyloxy)methyl]-7-[(5-carboxy-1-hydroxy-5-oxopentylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (7R)-7-(5-Carboxy-5-oxopentanamido)cephalosporanate (7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinic acid 7-(5-Carboxyl-5-oxopentanyl)-aminocephalosporinate 7-(5-Carboxyl-5-oxopentanyl)-aminocephalosporinic acid
metacyc.compound:7-5-CARBOXYL-5-OXOPENTANYL-AMINOCEPHAL metacycM:7-5-CARBOXYL-5-OXOPENTANYL-AMINOCEPHAL	(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate (7R)-7-(5-carboxy-5-oxopentanamido)deacetylcephalosporanate
CHEBI:15838 chebi:15838	(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanic acid (6R,7R)-3-(acetoxymethyl)-7-[(5-carboxy-5-oxopentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate (7R)-7-(5-carboxy-5-oxopentanoyl)aminocephalosporinic acid 7-(5-Carboxyl-5-oxopentanyl)-aminocephalosporinate
sabiork.compound:7508 sabiorkM:7508	7-(5-Carboxyl-5-oxopentanyl)-aminocephalosporinate
seed.compound:cpd02869 seedM:cpd02869	7-(5-Carboxyl-5-oxopentanyl)aminocephalosporinate (7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate (7R)-7-(5-carboxy-5-oxopentanamido)deacetylcephalosporanate (7R)-7-(5-carboxy-5-oxopentanoyl)aminocephalosporinate 7-(5-carboxyl-5-oxopentanyl)-aminocephalosporinate
hmdb:HMDB60316 chebi:12248 chebi:20773 chebi:2254 keggC:M_C04712 seedM:M_cpd02869	secondary/obsolete/fantasy identifier