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CHEBI:219404 - Pactamide B

ChEBI IDCHEBI:219404
ChEBI NamePactamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38N2O5
Net Charge0
Average Mass494.632
Monoisotopic Mass494.27807
SMILESCCC1=C(CO)[C@H]2[C@@H](C1)C[C@@H]1[C@@H]2CC[C@@H]2/C=C/C(O)=C3C(=O)N[C@@H](CCCNC(=O)/C=C\C[C@@H]12)C3=O
InChIInChI=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
InChIKeyKWCCJORRKLRCKS-ZNOMNLQXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28451290)
ChEBI Ontology
Outgoing Relation(s)
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