input word = C00018491

Metabolite InformationStructural formula
Name APD II
Norsurfactin
Surfactin E
Formula C52H91N7O13
Mw 1021.66748604
CAS RN 87099-78-3
C_ID C00018491 ,
InChIKey AFWTZXXDGQBIKW-DHSSRXEENA-N
InChICode InChI=1S/C52H91N7O13/c1-12-13-14-15-16-17-18-19-20-21-35-28-42(60)53-36(22-23-43(61)62)46(65)54-37(24-30(2)3)47(66)56-39(26-32(6)7)50(69)59-45(34(10)11)51(70)57-40(29-44(63)64)49(68)55-38(25-31(4)5)48(67)58-41(27-33(8)9)52(71)72-35/h30-41,45H,12-29H2,1-11H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1
SMILES N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1CC(C)C)C(C)C)CC(=O)O)CC(C)C)CC(C)C)CCCCCCCCCCC)CCC(=O)O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus subtillis C-756 Ref.
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