EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220881 - (1S,2S,5R,7R,10S,11S,14R,16R,19S,20S,23R,25R)-2,5,11,14,20,23-hexamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione

ChEBI IDCHEBI:220881
ChEBI Name(1S,2S,5R,7R,10S,11S,14R,16R,19S,20S,23R,25R)-2,5,11,14,20,23-hexamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O9
Net Charge0
Average Mass552.705
Monoisotopic Mass552.32983
SMILESC[C@@H]1C[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](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1
InChIInChI=1S/C30H48O9/c1-16-13-22-7-10-26(37-22)20(5)29(32)35-18(3)15-24-9-12-27(39-24)21(6)30(33)36-17(2)14-23-8-11-25(38-23)19(4)28(31)34-16/h16-27H,7-15H2,1-6H3/t16-,17-,18-,19+,20+,21+,22-,23-,24-,25+,26+,27+/m1/s1
InChIKeyWYYHFYCQPHDAJE-ZCTZZWDBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces globisporus (ncbitaxon:1908) - DOI (10.1016/j.tet.2004.04.006)
ChEBI Ontology
Outgoing Relation(s)
(1S,2S,5R,7R,10S,11S,14R,16R,19S,20S,23R,25R)-2,5,11,14,20,23-hexamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione (CHEBI:220881) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2S,5R,7R,10S,11S,14R,16R,19S,20S,23R,25R)-2,5,11,14,20,23-hexamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
Manual XrefsDatabases
9343962ChemSpider