CHEBI:223212 - Palmerolide D

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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 D
ChEBI ID CHEBI:223212
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H52N2O7
Net Charge 0
Average Mass 624.819
Monoisotopic Mass 624.37745
InChI InChI=1S/C36H52N2O7/c1-25(2)21-28(5)24-34(41)38-20-19-27(4)22-29(6)33-23-26(3)13-9-7-11-15-32(45-36(37)43)31(40)18-17-30(39)14-10-8-12-16-35(42)44-33/h7,9,12-13,16-20,22,24,29-33,39-40H,1,8,10-11,14-15,21,23H2,2-6H3,(H2,37,43)(H,38,41)/b9-7+,16-12+,18-17+,20-19+,26-13+,27-22+,28-24-/t29-,30+,31+,32+,33-/m1/s1
InChIKey FCKRUGBQFSKMHB-GXWFBVLJSA-N
SMILES O=C1O[C@@H]([C@@H](/C=C(/C=C/NC(=O)/C=C(\CC(=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 D (CHEBI:223212) is a macrolide (CHEBI:25106)
IUPAC Name
[(2R,4E,6E,10S,11S,12E,14S,18E)-2-[(2R,3E,5E)-6-[[(2Z)-3,5-dimethylhexa-2,5-dienoyl]amino]-4-methylhexa-3,5-dien-2-yl]-11,14-dihydroxy-4-methyl-20-oxo-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate
Manual Xref Database
27025768 ChemSpider
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