EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208982 - (4R,5S,6S,10Z,13S,14E)-5,13-dihydroxy-2,4,6,14-tetramethyl-15-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dien-3-one

ChEBI IDCHEBI:208982
ChEBI Name(4R,5S,6S,10Z,13S,14E)-5,13-dihydroxy-2,4,6,14-tetramethyl-15-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dien-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H37NO3S
Net Charge0
Average Mass407.620
Monoisotopic Mass407.24942
SMILESC/C(=C\c1csc(C)n1)[C@@H](O)C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)C
InChIInChI=1S/C23H37NO3S/c1-15(2)22(26)18(5)23(27)16(3)11-9-7-8-10-12-21(25)17(4)13-20-14-28-19(6)24-20/h8,10,13-16,18,21,23,25,27H,7,9,11-12H2,1-6H3/b10-8-,17-13+/t16-,18-,21-,23-/m0/s1
InChIKeyBUXAQZMQSTYYQK-HCCCJVGISA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - PubMed (11473410)
ChEBI Ontology
Outgoing Relation(s)
(4R,5S,6S,10Z,13S,14E)-5,13-dihydroxy-2,4,6,14-tetramethyl-15-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dien-3-one (CHEBI:208982) is a thiazoles (CHEBI:48901)
IUPAC Name 
(4R,5S,6S,10Z,13S,14E)-5,13-dihydroxy-2,4,6,14-tetramethyl-15-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dien-3-one
Manual XrefsDatabases
9936044ChemSpider