EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209615 - Glycosylated macrolactam B1

ChEBI IDCHEBI:209615
ChEBI NameGlycosylated macrolactam B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O11
Net Charge0
Average Mass580.671
Monoisotopic Mass580.28836
SMILESCC1CC/C=C\[C@@H]2O[C@](O)(C/C=C\C=C/[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C/C=C\C=C/C(=O)O1)CC[C@@H]2O
InChIInChI=1S/C30H44O11/c1-20-10-7-8-13-23-22(32)15-17-30(37,41-23)16-9-3-5-12-21(11-4-2-6-14-25(33)39-20)19-38-29-28(36)27(35)26(34)24(18-31)40-29/h2-6,8-9,12-14,20-24,26-29,31-32,34-37H,7,10-11,15-19H2,1H3/b4-2-,9-3-,12-5-,13-8-,14-6-/t20?,21-,22+,23+,24-,26-,27+,28-,29-,30-/m1/s1
InChIKeyKETXORQHWNKHMW-ZMTARFRQSA-N
Species of MetaboliteComponentSourceComments
Bacillusspecies (in: firmicutes) (ncbitaxon:1409) - PubMed (24828294)
ChEBI Ontology
Outgoing Relation(s)
Glycosylated macrolactam B1 (CHEBI:209615) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2Z,9Z,11Z,14R,15Z,17Z,20S,23S)-20,23-dihydroxy-6-methyl-14-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-7,24-dioxabicyclo[18.3.1]tetracosa-2,9,11,15,17-pentaen-8-one
Manual XrefsDatabases
78439839ChemSpider