CHEBI:222017 - (5R,8S,9S,10S,11S,13R,14S,15R,16E,18E)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,15.08,14.09,13]octacosa-1,3,6,16,18-pentaene-20,27,28-trione

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ChEBI Name (5R,8S,9S,10S,11S,13R,14S,15R,16E,18E)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,15.08,14.09,13]octacosa-1,3,6,16,18-pentaene-20,27,28-trione
ChEBI ID CHEBI:222017
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H36N2O4
Net Charge 0
Average Mass 476.617
Monoisotopic Mass 476.26751
InChI InChI=1S/C29H36N2O4/c1-3-17-15-21-25(16(17)2)20-12-10-18-11-13-23(32)27-28(34)22(31-29(27)35)8-6-14-30-24(33)9-5-4-7-19(18)26(20)21/h4-5,7,9-13,16-22,25-26,32H,3,6,8,14-15H2,1-2H3,(H,30,33)(H,31,35)/b7-4+,9-5+,13-11?,27-23?/t16-,17-,18+,19+,20-,21+,22?,25+,26-/m0/s1
InChIKey BIOWYFXUBBMGKM-LXTLZQNZSA-N
SMILES O=C1NCCCC2NC(=O)C(C2=O)=C(O)C=C[C@@H]3[C@@H](C=CC=C1)[C@H]4[C@H]([C@H]5[C@@H](C)[C@H](C[C@@H]45)CC)C=C3
Metabolite of Species Details
Streptomyces griseus (NCBI:txid1911) See: PubMed
ChEBI Ontology
Outgoing (5R,8S,9S,10S,11S,13R,14S,15R,16E,18E)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,15.08,14.09,13]octacosa-1,3,6,16,18-pentaene-20,27,28-trione (CHEBI:222017) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(5R,8S,9S,10S,11S,13R,14S,15R,16E,18E)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,15.08,14.09,13]octacosa-1,3,6,16,18-pentaene-20,27,28-trione