EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212751 - Rowithocin A

ChEBI IDCHEBI:212751
ChEBI NameRowithocin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H47O7P
Net Charge0
Average Mass610.728
Monoisotopic Mass610.30594
SMILESC=C/C=C\C(C)/C=C/C1CC=C(C)C=CC(OP(=O)(O)O)C(O)C=C(C)C=CC=CC=CC=CCC(C)C(=C)CC(=O)O1
InChIInChI=1S/C35H47O7P/c1-7-8-16-27(2)19-22-32-23-20-28(3)21-24-34(42-43(38,39)40)33(36)25-29(4)17-14-12-10-9-11-13-15-18-30(5)31(6)26-35(37)41-32/h7-17,19-22,24-25,27,30,32-34,36H,1,6,18,23,26H2,2-5H3,(H2,38,39,40)/b11-9?,12-10?,15-13?,16-8-,17-14?,22-19+,24-21?,28-20?,29-25?
InChIKeyGSTUNGJXXRUDRB-MBFWLKOUSA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - PubMed (29476047)
ChEBI Ontology
Outgoing Relation(s)
Rowithocin A (CHEBI:212751) is a macrolide (CHEBI:25106)
IUPAC Name 
[9-hydroxy-5,11,21-trimethyl-2-[(1E,4Z)-3-methylhepta-1,4,6-trienyl]-22-methylidene-24-oxo-1-oxacyclotetracosa-4,6,10,12,14,16,18-heptaen-8-yl] dihydrogen phosphate