input word = C00043485

Metabolite InformationStructural formula
Name Enniatin J3
Formula C32H55N3O9
Mw 625.39383038
CAS RN 716318-02-4
C_ID C00043485 ,
InChIKey PKIONGFDDBDWQO-BHCUXZBXNA-N
InChICode InChI=1S/C32H55N3O9/c1-15-20(10)23-32(41)44-26(19(8)9)28(37)34(13)22(16(2)3)31(40)43-24(17(4)5)27(36)33(12)21(11)30(39)42-25(18(6)7)29(38)35(23)14/h16-26H,15H2,1-14H3/t20-,21-,22-,23-,24+,25+,26+/m0/s1
SMILES C1(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H]1C(C)C)C)C(C)C)[C@H](CC)C)C)C(C)C)C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium sp. F31 Ref.
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