CHEBI:200544 - Pamamycin-621B

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 Pamamycin-621B
ChEBI ID CHEBI:200544
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H63NO7
Net Charge 0
Average Mass 621.900
Monoisotopic Mass 621.46045
InChI InChI=1S/C36H63NO7/c1-9-12-25(37(7)8)20-26-14-16-30(40-26)23(5)34-21-27-15-17-33(41-27)28(11-3)36(39)43-29(13-10-2)22(4)31-18-19-32(42-31)24(6)35(38)44-34/h22-34H,9-21H2,1-8H3/t22-,23+,24-,25+,26-,27-,28+,29-,30+,31-,32+,33+,34+/m0/s1
InChIKey MWWWOGLKNLXVDE-SAONEBKISA-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]1CC)CC3)[C@@H]([C@@H]4O[C@H](C[C@H](N(C)C)CCC)CC4)C)C)CC2)C)CCC
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Pamamycin-621B (CHEBI:200544) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,2R,5S,6R,7S,10R,11S,14R,16S)-14-[(1R)-1-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]ethyl]-2-ethyl-6,11-dimethyl-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
Manual Xref Database
78442508 ChemSpider
View more database links