input word = C00015673

Metabolite InformationStructural formula
Name Arborcandin A
Formula C57H101N13O18
Mw 1255.73875352
CAS RN 223465-76-7
C_ID C00015673 ,
InChIKey YALGAPDBNREBKQ-BZRIWDOCNA-N
InChICode InChI=1S/C57H101N13O18/c1-6-8-10-11-12-14-18-22-36(74)24-25-38-51(82)62-31-46(79)61-27-26-45(78)64-37(23-19-16-13-15-17-21-35(73)20-9-7-2)52(83)67-41(30-44(59)77)54(85)68-40(29-43(58)76)53(84)63-32(3)50(81)66-39(28-42(75)49(60)80)55(86)69-48(34(5)72)57(88)70-47(33(4)71)56(87)65-38/h32-42,47-48,71-75H,6-31H2,1-5H3,(H2,58,76)(H2,59,77)(H2,60,80)(H,61,79)(H,62,82)(H,63,84)(H,64,78)(H,65,87)(H,66,81)(H,67,83)(H,68,85)(H,69,86)(H,70,88)/t32-,33-,34-,35-,36+,37-,38-,39-,40+,41-,42-,47+,48-/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](CCCC)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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