CHEBI:223230 - Palmerolide G

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Palmerolide G
ChEBI ID CHEBI:223230
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H48N2O7
Net Charge 0
Average Mass 584.754
Monoisotopic Mass 584.34615
InChI InChI=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/h6,8,11-12,15-21,26-30,36-37H,7,9-10,13-14,22H2,1-5H3,(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
InChIKey HEOKDDVDVGNHMR-YRFNEGEBSA-N
SMILES O=C1O[C@@H]([C@@H](\C=C(/C=C/NC(=O)C=C(C)C)\C)C)CC(=CC=CCC[C@H](OC(=O)N)[C@H](C=C[C@H](CCCC=C1)O)O)C
Metabolite of Species Details
Candidatus Synoicihabitans palmerolidicus (NCBI:txid2818510) See: PubMed
ChEBI Ontology
Outgoing Palmerolide G (CHEBI:223230) is a macrolide (CHEBI:25106)
IUPAC Name
[(2R,4E,6E,10S,11S,12E,14S,18E)-11,14-dihydroxy-4-methyl-2-[(2R,3Z,5E)-4-methyl-6-(3-methylbut-2-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate
Manual Xref Database
27025771 ChemSpider
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