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CHEBI:223204 - Palmerolide C

ChEBI IDCHEBI:223204
ChEBI NamePalmerolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H48N2O7
Net Charge0
Average Mass584.754
Monoisotopic Mass584.34615
SMILESCC(C)=CC(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C\C=C\CCC[C@@H](OC(N)=O)[C@@H](O)[C@@H](O)/C=C/CC/C=C/C(=O)O1
InChIInChI=1S/C33H48N2O7/c1-23(2)20-30(37)35-19-18-25(4)21-26(5)29-22-24(3)14-10-6-8-12-16-28(42-33(34)40)32(39)27(36)15-11-7-9-13-17-31(38)41-29/h6,10-11,13-15,17-21,26-29,32,36,39H,7-9,12,16,22H2,1-5H3,(H2,34,40)(H,35,37)/b10-6+,15-11+,17-13+,19-18+,24-14-,25-21+/t26-,27+,28-,29-,32+/m1/s1
InChIKeyBMKCISMFGDXUPH-KJOVWIKKSA-N
Species of MetaboliteComponentSourceComments
Candidatus Synoicihabitans palmerolidicus (ncbitaxon:2818510) - PubMed (35004620)
ChEBI Ontology
Outgoing Relation(s)
Palmerolide C (CHEBI:223204) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,4Z,6E,11R,12S,13S,14E,18E)-12,13-dihydroxy-4-methyl-2-[(2R,3E,5E)-4-methyl-6-(3-methylbut-2-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,14,18-tetraen-11-yl] carbamate