input word = C00000416

Metabolite InformationStructural formula
Name 12S-HEPE
12S-Hydroxyeicosapentaenoic acid
Formula C20H30O3
Mw 318.21949482
CAS RN 116180-17-7
C_ID C00000416 ,
InChIKey MCRJLMXYVFDXLS-FQZNHVBGNA-N
InChICode InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m1/s1
SMILES CC/C=C\C/C=C\C[C@H](/C=C/C=C\C/C=C\CCCC(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--GracilariaceaeGracilaria lemaneiformis Ref.
PlantaeConstantineaConstantinea simplex Ref.
--Murrayella periclados Ref.
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