input word = C00017598

Metabolite InformationStructural formula
Name Cepafungin I
Formula C28H46N4O6
Mw 534.34173523
CAS RN 130743-08-7
C_ID C00017598 ,
InChIKey SVHNVAFCZJDSIW-HRNDUWCPNA-N
InChICode InChI=1S/C28H46N4O6/c1-19(2)12-10-8-6-5-7-9-11-13-25(36)32-26(21(4)33)28(38)31-23-18-22(34)16-17-29-24(35)15-14-20(3)30-27(23)37/h7,9,11,13-15,19-23,26,33-34H,5-6,8,10,12,16-18H2,1-4H3,(H,29,35)(H,30,37)(H,31,38)(H,32,36)/b9-7+,13-11-,15-14-/t20-,21+,22+,23-,26-/m0/s1
SMILES [C@H]1(CCNC(=O)/C=C\[C@@H](NC(=O)[C@H](C1)NC(=O)[C@H]([C@@H](C)O)NC(=O)/C=C\C=C\CCCCCC(C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas sp. CB-3 Ref.
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