CHEBI:217572 - Pamamycin-621C

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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 Pamamycin-621C
ChEBI ID CHEBI:217572
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)20-27-15-17-33(41-27)29(11-3)34-22(4)30-18-19-32(43-30)24(6)35(38)42-26(13-10-2)21-28-14-16-31(40-28)23(5)36(39)44-34/h22-34H,9-21H2,1-8H3/t22-,23+,24-,25-,26+,27+,28+,29-,30+,31-,32-,33-,34-/m1/s1
InChIKey FRHDXFWFRFEISX-AGUGKVCZSA-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](N(C)C)CCC)CC4)CC
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Pamamycin-621C (CHEBI:217572) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,2S,5R,6R,7S,10R,11R,14S,16S)-5-[(1R)-1-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]propyl]-2,6,11-trimethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
Manual Xref Database
8755142 ChemSpider
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