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CHEBI:223224 - Palmerolide F

ChEBI IDCHEBI:223224
ChEBI NamePalmerolide F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H48N2O7
Net Charge0
Average Mass584.754
Monoisotopic Mass584.34615
SMILESC=C(C)CC(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C/[C@@H](O)CCC/C=C/C(=O)O1
InChIInChI=1S/C33H48N2O7/c1-23(2)20-31(38)35-19-18-25(4)21-26(5)30-22-24(3)12-8-6-10-14-29(42-33(34)40)28(37)17-16-27(36)13-9-7-11-15-32(39)41-30/h6,8,11-12,15-19,21,26-30,36-37H,1,7,9-10,13-14,20,22H2,2-5H3,(H2,34,40)(H,35,38)/b8-6+,15-11+,17-16+,19-18+,24-12+,25-21+/t26-,27+,28+,29+,30-/m1/s1
InChIKeyOTQYFFWXHRPTBY-DAUCKHFQSA-N
Species of MetaboliteComponentSourceComments
Candidatus Synoicihabitans palmerolidicus (ncbitaxon:2818510) - PubMed (35004620)
ChEBI Ontology
Outgoing Relation(s)
Palmerolide F (CHEBI:223224) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,4E,6E,10S,11S,12E,14S,18E)-11,14-dihydroxy-4-methyl-2-[(2R,3E,5E)-4-methyl-6-(3-methylbut-3-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate
Manual XrefsDatabases
27025770ChemSpider