input word = C00015677

Metabolite InformationStructural formula
Name Arborcandin E
Formula C60H107N13O18
Mw 1297.78570371
CAS RN 223465-80-3
C_ID C00015677 ,
InChIKey SOVWGDRIJQIPNA-UIELXWMHNA-N
InChICode InChI=1S/C60H107N13O18/c1-6-8-10-12-13-14-16-21-25-39(77)27-28-41-54(85)65-34-49(82)64-30-29-48(81)67-40(26-22-18-15-17-20-24-38(76)23-19-11-9-7-2)55(86)70-44(33-47(62)80)57(88)71-43(32-46(61)79)56(87)66-35(3)53(84)69-42(31-45(78)52(63)83)58(89)72-51(37(5)75)60(91)73-50(36(4)74)59(90)68-41/h35-45,50-51,74-78H,6-34H2,1-5H3,(H2,61,79)(H2,62,80)(H2,63,83)(H,64,82)(H,65,85)(H,66,87)(H,67,81)(H,68,90)(H,69,84)(H,70,86)(H,71,88)(H,72,89)(H,73,91)/t35-,36-,37-,38+,39+,40-,41-,42+,43+,44-,45-,50+,51-/m1/s1
SMILES C1(=O)NCC(=O)NCCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H]1CC[C@H](CCCCCCCCCC)O)[C@@H](C)O)[C@@H](C)O)C[C@@H](O)C(=O)N)C)CC(=O)N)CC(=O)N)CCCCCCC[C@H](CCCCCC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Strain SANK 17397 Ref.
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