input word = C00015674

Metabolite InformationStructural formula
Name Arborcandin B
Formula C58H103N13O18
Mw 1269.75440358
CAS RN 223465-78-9
C_ID C00015674 ,
InChIKey VZFZGDKKOUEQOZ-KTLAJIKVNA-N
InChICode InChI=1S/C58H103N13O18/c1-6-8-10-11-12-14-19-23-37(75)25-26-39-52(83)63-32-47(80)62-28-27-46(79)65-38(24-20-16-13-15-18-22-36(74)21-17-9-7-2)53(84)68-42(31-45(60)78)55(86)69-41(30-44(59)77)54(85)64-33(3)51(82)67-40(29-43(76)50(61)81)56(87)70-49(35(5)73)58(89)71-48(34(4)72)57(88)66-39/h33-43,48-49,72-76H,6-32H2,1-5H3,(H2,59,77)(H2,60,78)(H2,61,81)(H,62,80)(H,63,83)(H,64,85)(H,65,79)(H,66,88)(H,67,82)(H,68,84)(H,69,86)(H,70,87)(H,71,89)/t33-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43+,48+,49-/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](CCCCCCCCC)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](CCCCC)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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