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-O
Formula
C17H17N8O5S3
Mass
509.55
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Lactams
-
Subclass
Beta lactams
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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 Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Primary amines Hydrocarbon derivatives Organic cations
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 - Amino acid - Tertiary amine - Amino acid or derivatives - 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 oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Primary amine - Organic cation - 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