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CHEBI:219397 - Pactamide A

ChEBI IDCHEBI:219397
ChEBI NamePactamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40N2O4
Net Charge0
Average Mass480.649
Monoisotopic Mass480.29881
SMILESCC[C@H]1C[C@H]2C[C@@H]3[C@H](CC[C@@H]4/C=C/C(O)=C5C(=O)N[C@@H](CCCNC(=O)/C=C\C[C@@H]34)C5=O)[C@H]2[C@@H]1C
InChIInChI=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
InChIKeyCOQRMMDQXCDULZ-BZXIHHRZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28451290)
ChEBI Ontology
Outgoing Relation(s)
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