CHEBI:222009 - (3E,5E,7R,8R,9S,10S,11S,13R,15S,16E,18E)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.08,15.09,13]octacosa-1,3,5,16,18-pentaene-20,27,28-trione

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ChEBI Name (3E,5E,7R,8R,9S,10S,11S,13R,15S,16E,18E)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.08,15.09,13]octacosa-1,3,5,16,18-pentaene-20,27,28-trione
ChEBI ID CHEBI:222009
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H38N2O5
Net Charge 0
Average Mass 494.632
Monoisotopic Mass 494.27807
InChI InChI=1S/C29H38N2O5/c1-3-18-15-20-16-19-9-4-7-13-24(34)30-14-8-10-21-28(35)27(29(36)31-21)23(33)12-6-5-11-22(32)26(19)25(20)17(18)2/h4-7,9,11-13,17-22,25-26,32-33H,3,8,10,14-16H2,1-2H3,(H,30,34)(H,31,36)/b9-4+,11-5+,12-6+,13-7+,27-23?/t17-,18-,19+,20+,21?,22+,25+,26-/m0/s1
InChIKey RKVKDOPZGFNWBV-GEPRLPOSSA-N
SMILES O=C1NCCCC2NC(=O)C(C2=O)=C(O)C=CC=C[C@H]([C@@H]3[C@H](C=CC=C1)C[C@H]4C[C@@H]([C@@H]([C@@H]34)C)CC)O
Metabolite of Species Details
Streptomyces griseus (NCBI:txid1911) See: PubMed
ChEBI Ontology
Outgoing (3E,5E,7R,8R,9S,10S,11S,13R,15S,16E,18E)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.08,15.09,13]octacosa-1,3,5,16,18-pentaene-20,27,28-trione (CHEBI:222009) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(3E,5E,7R,8R,9S,10S,11S,13R,15S,16E,18E)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.08,15.09,13]octacosa-1,3,5,16,18-pentaene-20,27,28-trione