Compound Identification
SMILES
C[C@H](ON=C(C(=O)NC1[C@@H]2SCC(CSC3=NC(=N)CC(N)N3C)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1)C(O)=O
InChIKey
InChIKey=KMBSSJCPHFXYEQ-SEOIFJFNSA-N
Formula
C21H25N9O7S3
Mass
611.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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 Dicarboxylic acids and derivatives 2-amino-1,3-thiazoles Hydropyrimidines 1,3-thiazines Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Amino acids Tertiary amines Secondary carboxylic acid amides Isothioureas Thiohemiaminal derivatives Dialkylthioethers Azacyclic compounds Sulfenyl compounds Carboximidamides Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary amines
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 - 1,3-thiazol-2-amine - 1,4,5,6-tetrahydropyrimidine - Dicarboxylic acid or derivatives - Hydropyrimidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Azole - Carboxamide group - Isothiourea - Azetidine - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Amino acid - Azacycle - Dialkylthioether - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Hemithioaminal - Thioether - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Primary amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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