Compound Identification
SMILES
CN(C)CC[N+]1=CC=C(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N/OCCSC2=NN\C(O2)=C2/C=C(O)C(=O)C=N2)\C2=CSC(N)=N2)C3=O)C(O)=O)C=C1
InChIKey
InChIKey=HWCWECQXGYLWIM-QDPGVEIFSA-O
Formula
C31H33N10O8S4
Mass
801.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
-
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 Alkylarylthioethers Dihydropyridines 1,3-thiazines Pyridinium derivatives 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Monothioacetals Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids Azetidines Cyclic ketones Thiohemiaminal derivatives Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Hydrazones Enols Dialkylthioethers Monocarboxylic acids and derivatives Imines Organic oxides Hydrocarbon derivatives Primary amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Dihydropyridine - Alkylarylthioether - Meta-thiazine - Hydropyridine - Pyridine - 1,3-thiazol-2-amine - Pyridinium - Heteroaromatic compound - Monothioacetal - Azole - Tertiary carboxylic acid amide - Thiazole - Azetidine - Cyclic ketone - Tertiary aliphatic amine - Ketone - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Hemithioaminal - Hydrazone - Azacycle - Dialkylthioether - Sulfenyl compound - Monocarboxylic acid or derivatives - Enol - Oxacycle - Thioether - Organic nitrogen compound - Organic oxygen compound - Imine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - 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