CHEBI:182064 - Antibiotic 170t

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Antibiotic 170t
ChEBI ID CHEBI:182064
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C42H68O12
Net Charge 0
Average Mass 764.994
Monoisotopic Mass 764.47108
InChI InChI=1S/C42H68O12/c1-9-29-21-33-13-17-35(51-33)25(5)39(43)47-24(4)20-32-12-16-38(50-32)28(8)42(46)54-30(10-2)22-34-14-18-36(52-34)26(6)40(44)48-23(3)19-31-11-15-37(49-31)27(7)41(45)53-29/h23-38H,9-22H2,1-8H3/t23-,24-,25-,26-,27+,28+,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+/m0/s1
InChIKey ZBDGIMZKOJALMU-HXUSMMTHSA-N
SMILES O1[C@@]2(CC[C@]1([C@@H](C(O[C@H](C[C@]3(O[C@](CC3)([C@H](C(O[C@@H](C[C@@]4(O[C@@](CC4)([C@@H](C(O[C@H](C[C@]5(O[C@](CC5)([C@H](C(O[C@@H](C2)CC)=O)C)[H])[H])C)=O)C)[H])[H])CC)=O)C)[H])[H])C)=O)C)[H])[H]
ChEBI Ontology
Outgoing Antibiotic 170t (CHEBI:182064) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5,23-diethyl-2,11,14,20,29,32-hexamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone
Manual Xref Database
217120 ChemSpider
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Registry Number Type Source
20261-85-2 CAS Registry Number ChemIDplus