CHEBI:226448 - De-N-methylpamamycin-593A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 De-N-methylpamamycin-593A
ChEBI ID CHEBI:226448
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H59NO7
Net Charge 0
Average Mass 593.846
Monoisotopic Mass 593.42915
InChI InChI=1S/C34H59NO7/c1-8-10-24(35-7)18-26-12-14-28(38-26)20(3)32-21(4)29-16-17-31(41-29)23(6)33(36)40-25(11-9-2)19-27-13-15-30(39-27)22(5)34(37)42-32/h20-32,35H,8-19H2,1-7H3/t20-,21-,22+,23-,24-,25+,26+,27+,28-,29+,30-,31-,32+/m1/s1
InChIKey ZPJHYHYMPZPIHF-JAXDINSTSA-N
SMILES O=C1O[C@H]([C@@H]([C@H]2O[C@@H]([C@H](C(=O)O[C@H](C[C@H]3O[C@@H]([C@@H]1C)CC3)CCC)C)CC2)C)[C@@H]([C@@H]4O[C@H](C[C@H](NC)CCC)CC4)C
Metabolite of Species Details
Streptomyces alboniger (NCBI:txid132473) See: PubMed
ChEBI Ontology
Outgoing De-N-methylpamamycin-593A (CHEBI:226448) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,2S,5S,6R,7S,10R,11R,14S,16S)-2,6,11-trimethyl-5-[(1R)-1-[(2R,5S)-5-[(2R)-2-(methylamino)pentyl]oxolan-2-yl]ethyl]-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
Manual Xref Database
8850338 ChemSpider
View more database links