Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H19N3O8S.Zn |
| Molecular Weight | 478.811 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Zn++].CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CCC[C@@H](N)C([O-])=O)C2=O)C([O-])=O
InChI
InChIKey=TVMXJQZBKOMFQK-OOARYINLSA-L
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
| Molecular Formula | Zn |
| Molecular Weight | 65.409 |
| Charge | 2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C16H19N3O8S |
| Molecular Weight | 413.402 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL354 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22483632 |
|||
Target ID: P39793 Gene ID: 939044.0 Gene Symbol: ponA Target Organism: Bacillus subtilis (strain 168) Sources: https://www.ncbi.nlm.nih.gov/pubmed/7565098 |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Multichannel liquid chromatography-tandem mass spectrometry cocktail method for comprehensive substrate characterization of multidrug resistance-associated protein 4 transporter. | 2007-12 |
|
| beta-Lactam drug allergens: fine structural recognition patterns of cephalosporin-reactive IgE antibodies. | 1996-07-01 |
|
| Drugs as allergens: an immunoassay for detecting IgE antibodies to cephalosporins. | 1990 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:56:46 GMT 2025
by
admin
on
Mon Mar 31 22:56:46 GMT 2025
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| Record UNII |
7AX8Y0VD4W
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| Record Status |
Validated (UNII)
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| Record Version |
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Created by
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PARENT -> SALT/SOLVATE |
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