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CHEBI:3745 - clindamycin

ChEBI IDCHEBI:3745
ChEBI Nameclindamycin
Stars
DefinitionA carbohydrate-containing antibiotic that is the semisynthetic derivative of lincomycin, a natural antibiotic.
Secondary ChEBI IDCHEBI:47331
Last Modified22 February 2017
DownloadsMolfile
FormulaC18H33ClN2O5S
Net Charge0
Average Mass424.991
Monoisotopic Mass424.17987
SMILESCCC[C@@H]1C[C@@H](C(=O)NC(C(C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1
InChIInChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1
InChIKeyKDLRVYVGXIQJDK-NOWPCOIGSA-N
Wikipedia
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Roles:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
clindamycin (CHEBI:3745) has functional parent lincomycin (CHEBI:6472)
clindamycin (CHEBI:3745) has role environmental contaminant (CHEBI:78298)
clindamycin (CHEBI:3745) has role xenobiotic (CHEBI:35703)
clindamycin (CHEBI:3745) is a S-glycosyl compound (CHEBI:35275)
clindamycin (CHEBI:3745) is a carbohydrate-containing antibiotic (CHEBI:23007)
clindamycin (CHEBI:3745) is a organochlorine compound (CHEBI:36683)
clindamycin (CHEBI:3745) is a pyrrolidinecarboxamide (CHEBI:46770)
clindamycin (CHEBI:3745) is a semisynthetic derivative (CHEBI:72588)
Incoming Relation(s)
clindamycin phosphate (CHEBI:3746) has functional parent clindamycin (CHEBI:3745)
IUPAC Name 
methyl 7-chloro-6,7,8-trideoxy-6-({[(2S,4R)-1-methyl-4-propylpyrrolidin-2-yl]carbonyl}amino)-1-thio-D-glycero-α-D-galacto-octopyranoside
Synonyms  Source
ClindamycinKEGG COMPOUND
Cleocin (TN)KEGG DRUG
7(S)-Chloro-7-deoxylincomycinChemIDplus
7-CDLChemIDplus
Methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-trans-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-L-threo-alpha-D-galacto-octopyranosideChemIDplus
Manual XrefsDatabases
C06914KEGG COMPOUND
D00277KEGG DRUG
DB01190DrugBank
C13684KEGG COMPOUND
D02132KEGG DRUG
ClindamycinWikipedia
HMDB0015321HMDB
Registry NumbersSources
Reaxys:5624049Reaxys
CAS:18323-44-9KEGG COMPOUND
CAS:18323-44-9ChemIDplus
Citations