EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216749 - Pamamycin-649A

ChEBI IDCHEBI:216749
ChEBI NamePamamycin-649A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H67NO7
Net Charge0
Average Mass649.954
Monoisotopic Mass649.49175
SMILESCCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](CC)C(=O)O[C@@H]([C@H](CC)[C@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)[C@H](C)[C@@H]2CC[C@@H](O2)[C@@H](CC)C(=O)O1
InChIInChI=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
InChIKeyJYJGXVRPMXVGID-FSQJWVLESA-N
Species of MetaboliteComponentSourceComments
Streptomyces alboniger (ncbitaxon:132473) - DOI (10.1016/0040-4039(91)80696-4)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78438647ChemSpider