CHEBI:63334 - rolitetracycline

ChEBI IDCHEBI:63334
ChEBI Namerolitetracycline
Stars
DefinitionA derivative of tetracycline in which the amide function is substituted with a pyrrolidinomethyl group.
Last Modified7 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC27H33N3O8
Net Charge0
Average Mass527.574
Monoisotopic Mass527.22677
SMILES[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(=O)NCN4CCCC4)C(=O)[C@@]3(O)C(O)=C1C(=O)c1c(O)cccc1[C@@]2(C)O
InChIInChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,20,31,33-34,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14-,15-,20-,26+,27-/m0/s1
InChIKeyHMEYVGGHISAPJR-IAHYZSEUSA-N
Wikipedia
Roles Classification
Biological Roles:
protein synthesis inhibitor  A compound, usually an anti-bacterial agent or a toxin, which inhibits the synthesis of a protein.
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
antibacterial drug  A drug used to treat or prevent bacterial infections.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
rolitetracycline (CHEBI:63334) has role antibacterial drug (CHEBI:36047)
rolitetracycline (CHEBI:63334) has role antiprotozoal drug (CHEBI:35820)
rolitetracycline (CHEBI:63334) has role prodrug (CHEBI:50266)
rolitetracycline (CHEBI:63334) has role protein synthesis inhibitor (CHEBI:48001)
rolitetracycline (CHEBI:63334) is a tertiary α-hydroxy ketone (CHEBI:139592)
rolitetracycline (CHEBI:63334) is a tetracyclines (CHEBI:26895)
IUPAC Name 
(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(pyrrolidin-1-ylmethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
INNs  Source
rolitetracyclineKEGG DRUG
rolitetracyclinumChemIDplus
rolitetraciclinaChemIDplus
Synonyms  Source
Pyrrolidino-methyl-tetracyclineChemIDplus
N-(1-Pyrrolidinylmethyl)-tetracyclineChemIDplus
N-(Pyrrolidinomethyl)tetracyclineChemIDplus
ReverinChemIDplus
Brand Name  Source
SynterinKEGG DRUG
Manual XrefsDatabases
DB01301DrugBank
D02282KEGG DRUG
RolitetracyclineWikipedia
US3104240Patent
2399DrugCentral
Registry NumbersSources
Reaxys:73191Reaxys
CAS:751-97-3KEGG DRUG
CAS:751-97-3ChemIDplus
Citations