input word = C00018189

Metabolite InformationStructural formula
Name Esterastin
Formula C28H46N2O6
Mw 506.33558722
CAS RN 67655-93-0
C_ID C00018189 ,
InChIKey JKNGELGDDBUFHG-UHFFFAOYNA-N
InChICode InChI=1S/C28H46N2O6/c1-4-6-8-10-11-12-13-14-15-17-22(35-28(34)24(20-26(29)32)30-21(3)31)19-25-23(27(33)36-25)18-16-9-7-5-2/h11-12,14-15,22-25H,4-10,13,16-20H2,1-3H3,(H2,29,32)(H,30,31)/b12-11+,15-14+/t22-,23-,24+,25-/m1/s1
SMILES C1(=O)[C@@H]([C@H](O1)C[C@H](OC(=O)[C@H](CC(=O)N)NC(=O)C)C/C=C/C/C=C/CCCCC)CCCCCC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces lavendulae strain MD4-C1 Ref.
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OrganismStreptomyces lavendulae strain MD4-C1
ReferenceUmezawa,J. Antibiotics,31,(1978),639