Compound Summary
Compound Information
Cephalosporin C zinc salt
Compound Name: | Cephalosporin C zinc salt |
Compound CID: | 11957494 |
Synonyms: | Cephalosporin C zinc salt UNII-7AX8Y0VD4W 7AX8Y0VD4W 59143-60-1 Zinc(II) (6R,7R)-3-(acetoxymethyl)-7-((R)-5-amino-5-carboxylatopentanamido)-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylate More... |
Iupac Name: | zinc;(6R,7R)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxylatopentanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
InChI: | InChI=1S/C16H21N3O8S.Zn/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24;/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26);/q;+2/p-2/t9-,11-,14-;/m1./s1 |
InChIKey: | TVMXJQZBKOMFQK-OOARYINLSA-L |
Canonical Smiles: | CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)[O-])N)SC1)C(=O)[O-].[Zn+2] |
Isomeric Smiles: | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)[O-])N)SC1)C(=O)[O-].[Zn+2] |
Molecular Weight: | 478.8 |
Molecular Formula: | C16H19N3O8SZn |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Cephalosporin C zinc salt
Molecular Weight: | 478.8 |
Molecular Formula: | C16H19N3O8SZn |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 10 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 29 |
Complexity: | 726 |
Synonyms
Cephalosporin C zinc salt
| Cephalosporin C zinc salt | Cephalosporin C zinc salt |
|---|---|
Cephalosporin C zinc salt |
UNII-7AX8Y0VD4W |
7AX8Y0VD4W |
59143-60-1 |
Zinc(II) (6R,7R)-3-(acetoxymethyl)-7-((R)-5-amino-5-carboxylatopentanamido)-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylate |
Cephalosporin C zinc |
Zinc cephalosporin C |
CHEMBL1326149 |
HY-B1299A |
DTXSID501017261 |
HMS3260J04 |
Tox21_500281 |
CCG-221585 |
CS-W007086 |
LP00281 |
NCGC00093736-01 |
NCGC00260966-01 |
EU-0100281 |
C 3270 |
Zinc, (3-((acetyloxy)methyl)-7-((5-amino-5-carboxy-1-oxopentyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylato(2-))- |
zinc;(6R,7R)-3-(acetyloxymethyl)-7-(5R)-5-amino-5-carboxylatopentanoylamino-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylate |
Experimental Data
Cephalosporin C zinc salt
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 0 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Cephalosporin C zinc salt
Statistics Data
Cephalosporin C zinc salt
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0 | 1 | 1 |
Statistics Data Visualization
Cephalosporin C zinc salt
