input word = C00042868

Metabolite InformationStructural formula
Name Pseudotrienic acid A
Formula C31H50N2O6
Mw 546.36688734
CAS RN 868592-45-4
C_ID C00042868 ,
InChIKey WBVCUTBXBMPSBQ-VHZFPZBQNA-N
InChICode InChI=1S/C31H50N2O6/c1-4-5-6-7-8-11-14-17-27(34)21-19-25(2)20-22-29(36)33-24-28(35)26(3)31(39)32-23-16-13-10-9-12-15-18-30(37)38/h9-10,12-13,15,18-21,26-28,34-35H,4-8,11,14,16-17,22-24H2,1-3H3,(H,32,39)(H,33,36)(H,37,38)/b12-9+,13-10+,18-15+,21-19+,25-20+/t26-,27-,28-/m0/s1
SMILES CCCCCCCCCC(O)/C=C/C(C)=C/CC(=O)NC[C@H](O)[C@H](C)C(=O)NCC/C=C/C=C/C=C/C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas sp. MF381-IODS Ref.
zoom in