CHEBI:219413 - Pactamide C

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 C
ChEBI ID CHEBI:219413
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H38N2O4
Net Charge 0
Average Mass 478.633
Monoisotopic Mass 478.28316
InChI InChI=1S/C29H38N2O4/c1-3-19-16-21-17-20-10-7-8-14-25(33)30-15-9-12-23-28(34)27(29(35)31-23)24(32)13-6-4-5-11-22(20)26(21)18(19)2/h4-8,10,13-14,18-23,26,32H,3,9,11-12,15-17H2,1-2H3,(H,30,33)(H,31,35)/b5-4+,10-7+,13-6+,14-8+,27-24?/t18-,19+,20-,21+,22+,23+,26+/m1/s1
InChIKey MONDIPJFMDTDAR-ARKFDTLDSA-N
SMILES O=C1NCCC[C@@H]2NC(=O)C(C2=O)=C(O)C=CC=CC[C@H]3[C@H](C=CC=C1)C[C@@H]4C[C@@H]([C@H]([C@H]34)C)CC
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Pactamide C (CHEBI:219413) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(3E,5E,8S,9R,10R,11S,13S,15S,16E,18E,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.08,15.09,13]octacosa-1,3,5,16,18-pentaene-20,27,28-trione