CHEBI:219397 - Pactamide A

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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 A
ChEBI ID CHEBI:219397
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H40N2O4
Net Charge 0
Average Mass 480.649
Monoisotopic Mass 480.29881
InChI InChI=1S/C29H40N2O4/c1-3-17-14-19-15-22-20-6-4-8-25(33)30-13-5-7-23-28(34)27(29(35)31-23)24(32)12-10-18(20)9-11-21(22)26(19)16(17)2/h4,8,10,12,16-23,26,32H,3,5-7,9,11,13-15H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,12-10+,27-24?/t16-,17+,18-,19+,20-,21+,22+,23+,26+/m1/s1
InChIKey COQRMMDQXCDULZ-BZXIHHRZSA-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]5[C@@H]([C@@H](CC)C[C@H]5C4)C)CC3
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Pactamide A (CHEBI:219397) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(3E,5R,8S,9R,10R,11S,13S,15S,16R,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1,3,18-triene-20,27,28-trione