Compound Identification
SMILES
NC1=NC(=CS1)C(=N\O)\C(=O)N[C@H]1[C@H]2SCC(SC3CN4C=NC=[N+]4C3)=C(N2C1=O)C([O-])=O
InChIKey
InChIKey=HFCVZEKQXMHKKA-IAQYHMDHSA-N
Formula
C17H16N8O5S3
Mass
508.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
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Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Cephems
Direct Parent
Cephalosporins
Alternative Parents
N-acyl-alpha amino acids and derivatives 2,4-disubstituted thiazoles Vinylogous thioesters 1,3-thiazines 2-amino-1,3-thiazoles Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Ketoximes Thioenol ethers Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organic zwitterions Primary amines Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - Vinylogous thioester - 1,3-thiazol-2-amine - Tertiary carboxylic acid amide - Thiazole - Ketoxime - 1,2,4-triazole - Azole - Heteroaromatic compound - Tertiary amine - Amino acid - Amino acid or derivatives - Carboxylic acid salt - Carboxamide group - Thioenolether - Secondary carboxylic acid amide - Azetidine - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Amine - Organic zwitterion - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.
External Descriptors
Not available