input word = C00028452

Metabolite InformationStructural formula
Name Latrunculin S
Formula C22H33NO5S
Mw 423.2079439
CAS RN 175992-99-1
C_ID C00028452 ,
InChIKey UUGRTMKMIPDGSF-IKQMMTJENA-N
InChICode InChI=1S/C22H33NO5S/c1-15-7-5-3-4-6-8-16(2)11-21(26)28-18(12-17(24)10-9-15)13-20(25)19-14-29-22(27)23-19/h3-5,7,11,15,17-20,24-25H,6,8-10,12-14H2,1-2H3,(H,23,27)/b4-3-,7-5+,16-11-/t15-,17-,18+,19+,20-/m1/s1
SMILES C1[C@@H](/C=C/C=C\CC/C(=C\C(=O)O[C@@H](C[C@@H](C1)O)C[C@H]([C@H]1NC(=O)SC1)O)/C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
--Fasciospongia rimosa Ref.
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OrganismFasciospongia rimosa
ReferenceHiga,PCT Int.Appl.WO97,(1997),10242