Biological and Environmental Research Ontology

Last uploaded: December 23, 2022
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Preferred Name

Clindamycin hydrochloride
Synonyms

(2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrochloride
ID

http://purl.obolibrary.org/obo/CHEBI_176915
alternative term

(2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrochloride
charge

0
database_cross_reference

CAS:21462-39-5

KEGG:C13684

KEGG:D02132

Chemspider:10482112
formula

C18H33ClN2O5S.ClH
has_exact_synonym

(2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrochloride
has_obo_namespace

chebi_ontology
id

CHEBI:176915
in_subset

http://purl.obolibrary.org/obo/chebi#2_STAR
inchi

InChI=1S/C18H33ClN2O5S.ClH/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);1H/t9-,10+,11-,12+,13-,14+,15+,16+,18+;/m0./s1
inchikey

AUODDLQVRAJAJM-XJQDNNTCSA-N
label

Clindamycin hydrochloride
mass

461.440
monoisotopicmass

460.15655
notation

CHEBI:176915
prefLabel

Clindamycin hydrochloride
smiles

Cl[C@H]([C@@H](NC(=O)[C@H]1N(C[C@@H](C1)CCC)C)[C@]2(O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[H])C.Cl
subClassOf

http://purl.obolibrary.org/obo/CHEBI_35275
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