CHEBI:219431 - Pactamide F

ChEBI IDCHEBI:219431
ChEBI NamePactamide F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H39ClN2O5
Net Charge0
Average Mass531.093
Monoisotopic Mass530.25475
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@]1(O)CCl
InChIInChI=1S/C29H39ClN2O5/c1-2-18-13-17-14-21-19-5-3-7-24(34)31-12-4-6-22-27(35)25(28(36)32-22)23(33)11-9-16(19)8-10-20(21)26(17)29(18,37)15-30/h3,7,9,11,16-22,26,33,37H,2,4-6,8,10,12-15H2,1H3,(H,31,34)(H,32,36)/b7-3-,11-9+,25-23?/t16-,17+,18+,19-,20+,21+,22+,26+,29+/m1/s1
InChIKeyBRNQMLSKMSMSQY-QLIRVBKLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28451290)
ChEBI Ontology
Outgoing Relation(s)
Pactamide F (CHEBI:219431) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(3E,5R,8S,9S,10S,11S,13R,15S,16R,18Z,25S)-10-(chloromethyl)-11-ethyl-2,10-dihydroxy-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1,3,18-triene-20,27,28-trione