CHEBI:219404 - Pactamide B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Pactamide B
ChEBI ID CHEBI:219404
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H38N2O5
Net Charge 0
Average Mass 494.632
Monoisotopic Mass 494.27807
InChI InChI=1S/C29H38N2O5/c1-2-16-13-18-14-21-19-5-3-7-25(34)30-12-4-6-23-28(35)27(29(36)31-23)24(33)11-9-17(19)8-10-20(21)26(18)22(16)15-32/h3,7,9,11,17-21,23,26,32-33H,2,4-6,8,10,12-15H2,1H3,(H,30,34)(H,31,36)/b7-3-,11-9+,27-24?/t17-,18+,19-,20+,21+,23+,26+/m1/s1
InChIKey KWCCJORRKLRCKS-ZNOMNLQXSA-N
SMILES O=C1NCCC[C@@H]2NC(=O)C(C2=O)=C(O)C=C[C@@H]3[C@@H](CC=C1)[C@H]4[C@@H]([C@H]5C(=C(CC)C[C@H]5C4)CO)CC3
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Pactamide B (CHEBI:219404) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(3E,5R,8S,9S,13R,15S,16R,18Z,25S)-11-ethyl-2-hydroxy-10-(hydroxymethyl)-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1,3,10,18-tetraene-20,27,28-trione