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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.
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 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
OleandocetineHMDB
Oleandomycin triacetateHMDB
Oleandomycin triacetyl esterHMDB
TriacetyloleandomycinKEGG COMPOUND
TriacetyloleandomycinumChemIDplus
TribiocillinaChemIDplus
Brand Name  Source
TriocetinChemIDplus
Manual XrefsDatabases
2769DrugCentral
C12753KEGG COMPOUND
D01322KEGG DRUG
DB01361DrugBank
HMDB0015448HMDB
LMPK04000042LIPID MAPS
LSM-5510LINCS
TAOPDBeChem
TroleandomycinWikipedia
Registry NumbersSources
Reaxys:77547Reaxys
CAS:2751-09-9KEGG COMPOUND
CAS:2751-09-9ChemIDplus
Citations