EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206014 - Pretilactam

ChEBI IDCHEBI:206014
ChEBI NamePretilactam
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H35NO4
Net Charge0
Average Mass437.580
Monoisotopic Mass437.25661
SMILESCC1=CC=CC=C/C=C/C[C@@H](C)NC(=O)/C=C/C=CC[C@H]2O[C@@H](/C=C\C=C1)C[C@@H](O)[C@@H]2O
InChIInChI=1S/C27H35NO4/c1-21-14-8-5-3-4-6-9-16-22(2)28-26(30)19-11-7-10-18-25-27(31)24(29)20-23(32-25)17-13-12-15-21/h3-15,17,19,22-25,27,29,31H,16,18,20H2,1-2H3,(H,28,30)/b4-3?,8-5?,9-6+,10-7?,15-12?,17-13-,19-11+,21-14?/t22-,23+,24-,25-,27+/m1/s1
InChIKeyZSTCCVJYKCWCOU-JFVUHASKSA-N
Species of MetaboliteComponentSourceComments
Actinosynnema (ncbitaxon:40566) - PubMed (31248172)
ChEBI Ontology
Outgoing Relation(s)
Pretilactam (CHEBI:206014) is a oxanes (CHEBI:46942)
IUPAC Name 
(1R,5E,9R,11E,21Z,23R,25R,26S)-25,26-dihydroxy-9,18-dimethyl-27-oxa-8-azabicyclo[21.3.1]heptacosa-3,5,11,13,15,17,19,21-octaen-7-one