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CHEBI:45735 - troleandomycin

Default Structure
ChEBI IDCHEBI:45735
ChEBI Nametroleandomycin
Stars
DefinitionA semi-synthetic macrolide antibiotic obtained by acetylation of the three free hydroxy groups of oleandomycin. Troleandomycin is only found in individuals that have taken the drug.
Secondary ChEBI IDCHEBI:32267
Last Modified22 February 2017
DownloadsMolfile
FormulaC41H67NO15
Net Charge0
Average Mass813.979
Monoisotopic Mass813.45107
SMILESCO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O
InChIInChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41+/m0/s1
InChIKeyLQCLVBQBTUVCEQ-QTFUVMRISA-N
Wikipedia
Roles Classification
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.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor  An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of EC 1.14.13.97 (taurochenodeoxycholate 6α-hydroxylase).
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
troleandomycin (CHEBI:45735) has functional parent oleandomycin (CHEBI:16869)
troleandomycin (CHEBI:45735) has role antibacterial agent (CHEBI:33282)
troleandomycin (CHEBI:45735) has role EC 1.14.13.97 (taurochenodeoxycholate 6α-hydroxylase) inhibitor (CHEBI:86501)
troleandomycin (CHEBI:45735) has role xenobiotic (CHEBI:35703)
troleandomycin (CHEBI:45735) is a acetate ester (CHEBI:47622)
troleandomycin (CHEBI:45735) is a epoxide (CHEBI:32955)
troleandomycin (CHEBI:45735) is a macrolide antibiotic (CHEBI:25105)
troleandomycin (CHEBI:45735) is a monosaccharide derivative (CHEBI:63367)
troleandomycin (CHEBI:45735) is a polyketide (CHEBI:26188)
troleandomycin (CHEBI:45735) is a semisynthetic derivative (CHEBI:72588)
IUPAC Name 
(3R,5R,6S,7R,8R,11R,12S,13R,14S,15S)-12-[(4-O-acetyl-2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy]-14-{[2-O-acetyl-3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}-5,7,8,11,13,15-hexamethyl-4,10-dioxo-1,9-dioxaspiro[2.13]hexadecan-6-yl acetate
INNs  Source
troleandomicinaChemIDplus
troleandomycinKEGG DRUG
troleandomycineChemIDplus
troleandomycinumChemIDplus
Synonyms  Source
AcetyloleandomycinChEMBL
NSC-108166ChEMBL
OleandocetineHMDB
Oleandomycin (as troleandomycin)ChEMBL
Oleandomycin triacetateHMDB
Oleandomycin triacetate esterChEMBL
Brand Name  Source
TriocetinChemIDplus
Manual XrefsDatabases
2769DrugCentral
C12753KEGG COMPOUND
D01322KEGG DRUG
DB01361DrugBank
HMDB0015448HMDB
LMPK04000042LIPID MAPS
LSM-5510LINCS
TAOPDBeChem
TroleandomycinWikipedia
Registry NumbersSources
Reaxys:77547Reaxys
CAS:2751-09-9ChemIDplus
CAS:2751-09-9KEGG COMPOUND
Citations