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CHEBI:206858 - Glycosylated macrolactam A1

ChEBI IDCHEBI:206858
ChEBI NameGlycosylated macrolactam A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O11
Net Charge0
Average Mass580.671
Monoisotopic Mass580.28836
SMILESCC1CC/C=C\[C@@H]2O[C@H](C[C@@H](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)[C@H]2O
InChIInChI=1S/C30H44O11/c1-19-10-8-9-14-22-26(34)23(40-22)16-21(32)13-6-2-4-11-20(12-5-3-7-15-25(33)39-19)18-38-30-29(37)28(36)27(35)24(17-31)41-30/h2-7,9,11,14-15,19-24,26-32,34-37H,8,10,12-13,16-18H2,1H3/b5-3-,6-2-,11-4-,14-9-,15-7-/t19?,20-,21-,22-,23+,24+,26-,27+,28-,29+,30+/m0/s1
InChIKeySPCARSJFKFWZPR-IKHWOTHUSA-N
Species of MetaboliteComponentSourceComments
Bacillusspecies (in: firmicutes) (ncbitaxon:1409) - PubMed (24828294)
ChEBI Ontology
Outgoing Relation(s)
Glycosylated macrolactam A1 (CHEBI:206858) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2Z,9Z,11Z,14R,15Z,17Z,20S,22R,24R)-20,24-dihydroxy-6-methyl-14-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-7,23-dioxabicyclo[20.1.1]tetracosa-2,9,11,15,17-pentaen-8-one