input word = C00042869

Metabolite InformationStructural formula
Name Pseudotrienic acid B
Formula C29H46N2O6
Mw 518.33558722
CAS RN 868592-46-5
C_ID C00042869 ,
InChIKey KUBFEPFJIGSSKC-NTUNGKLHNA-N
InChICode InChI=1S/C29H46N2O6/c1-4-5-6-9-12-15-25(32)19-17-23(2)18-20-27(34)31-22-26(33)24(3)29(37)30-21-14-11-8-7-10-13-16-28(35)36/h7-8,10-11,13,16-19,24-26,32-33H,4-6,9,12,14-15,20-22H2,1-3H3,(H,30,37)(H,31,34)(H,35,36)/b10-7+,11-8+,16-13+,19-17+,23-18+/t24-,25+,26-/m0/s1
SMILES C(=O)(/C=C/C=C/C=C/CCNC(=O)[C@H]([C@H](CNC(=O)C/C=C(/C=C/[C@@H](CCCCCCC)O)\C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas sp. MF381-IODS Ref.
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OrganismPseudomonas sp. MF381-IODS
ReferencePohanka,J.Nat.Prod.,68,(2005),1380