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CHEBI:203516 - Trinactin

ChEBI IDCHEBI:203516
ChEBI NameTrinactin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H70O12
Net Charge0
Average Mass779.021
Monoisotopic Mass778.48673
SMILESCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1
InChIInChI=1S/C43H70O12/c1-9-29-21-33-13-17-36(50-33)25(5)40(44)48-24(4)20-32-12-16-37(49-32)26(6)41(45)53-30(10-2)22-34-14-18-39(51-34)28(8)43(47)55-31(11-3)23-35-15-19-38(52-35)27(7)42(46)54-29/h24-39H,9-23H2,1-8H3/t24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+,39-/m0/s1
InChIKeyDFQMKYUSAALDDY-MQEBUAKTSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1002/hlca.19620450227)
ChEBI Ontology
Outgoing Relation(s)
Trinactin (CHEBI:203516) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5,14,23-triethyl-2,11,20,29,32-pentamethyl-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 XrefsDatabases
147830ChemSpider