CHEBI:216749 - Pamamycin-649A

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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-649A
ChEBI ID CHEBI:216749
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H67NO7
Net Charge 0
Average Mass 649.954
Monoisotopic Mass 649.49175
InChI InChI=1S/C38H67NO7/c1-9-14-25(39(7)8)22-27-16-18-33(42-27)29(11-3)36-24(6)32-20-21-35(45-32)31(13-5)37(40)44-26(15-10-2)23-28-17-19-34(43-28)30(12-4)38(41)46-36/h24-36H,9-23H2,1-8H3/t24-,25-,26+,27+,28+,29-,30+,31-,32+,33-,34-,35-,36-/m1/s1
InChIKey JYJGXVRPMXVGID-FSQJWVLESA-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)CCC)CC)CC2)C)[C@@H]([C@@H]4O[C@H](C[C@H](N(C)C)CCC)CC4)CC
Metabolite of Species Details
Streptomyces alboniger (NCBI:txid132473) See: DOI
ChEBI Ontology
Outgoing Pamamycin-649A (CHEBI:216749) 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]-2,11-diethyl-6-methyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
Manual Xref Database
78438647 ChemSpider
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