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CHEBI:219423 - Pactamide E

ChEBI IDCHEBI:219423
ChEBI NamePactamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36N2O4
Net Charge0
Average Mass476.617
Monoisotopic Mass476.26751
SMILESCC[C@H]1C[C@H]2/C=C/C=C/C=CC(=O)NCCC[C@@H]3NC(=O)C(=C(O)/C=C/C=C/C=C/[C@H]2[C@@H]1C)C3=O
InChIInChI=1S/C29H36N2O4/c1-3-21-19-22-13-8-4-7-11-17-26(33)30-18-12-15-24-28(34)27(29(35)31-24)25(32)16-10-6-5-9-14-23(22)20(21)2/h4-11,13-14,16-17,20-24,32H,3,12,15,18-19H2,1-2H3,(H,30,33)(H,31,35)/b6-5+,7-4+,13-8+,14-9+,16-10+,17-11?,27-25?/t20-,21+,22-,23+,24+/m1/s1
InChIKeyNOJRAQWMMMFKJA-KIJIHBSFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28451290)
ChEBI Ontology
Outgoing Relation(s)
Pactamide E (CHEBI:219423) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(3E,5E,7E,9S,10R,11S,13S,14E,16E,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazatricyclo[23.2.1.09,13]octacosa-1,3,5,7,14,16,18-heptaene-20,27,28-trione