CHEBI:198952 - Pamamycin-649B

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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-649B
ChEBI ID CHEBI:198952
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C38H67NO7
Net Charge 0
Average Mass 649.954
Monoisotopic Mass 649.49175
InChI InChI=1S/C38H67NO7/c1-10-14-26(39(8)9)22-27-16-17-34(42-27)28(12-3)36-24(6)32-20-21-35(44-32)29(13-4)38(41)45-30(15-11-2)23(5)31-18-19-33(43-31)25(7)37(40)46-36/h23-36H,10-22H2,1-9H3/t23-,24+,25-,26+,27-,28+,29+,30-,31-,32-,33+,34+,35+,36+/m0/s1
InChIKey MFMJBJLUIRYLLE-CTVFDYKESA-N
SMILES O=C1O[C@H]([C@@H]([C@H]2O[C@@H]([C@@H](C(=O)O[C@H]([C@@H]([C@H]3O[C@@H]([C@H]1CC)CC3)C)[C@@H]([C@@H]4O[C@H](C[C@H](N(C)C)CCC)CC4)CC)C)CC2)C)CCC
Metabolite of Species Details
Streptomyces alboniger (NCBI:txid132473) See: DOI
ChEBI Ontology
Outgoing Pamamycin-649B (CHEBI:198952) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,2R,5S,6R,7S,10R,11S,14R,15R,16S)-14-[(1R)-1-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]propyl]-2-ethyl-6,11,15-trimethyl-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
Manual Xref Database
78436433 ChemSpider
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