input word = C00039921

Metabolite InformationStructural formula
Name Pahayokolide B
Formula C63H90N12O18
Mw 1302.64960416
CAS RN 942041-82-9
C_ID C00039921 ,
InChIKey OIVBMJYHGKIQDX-YNHFOLQXNA-N
InChICode InChI=1S/C63H90N12O18/c1-6-39-55(85)72-45(33-76)58(88)67-40(7-2)56(86)73-52(35(5)77)61(91)69-42(23-22-36-16-10-8-11-17-36)63(93)75-27-15-21-47(75)60(90)70-43(30-38(78)31-49(80)48(79)28-34(3)4)53(83)62(92)68-41(24-25-50(64)81)54(84)65-32-51(82)74-26-14-20-46(74)59(89)71-44(57(87)66-39)29-37-18-12-9-13-19-37/h6-13,16-19,34-35,38,41-49,52-53,76-80,83H,14-15,20-33H2,1-5H3,(H2,64,81)(H,65,84)(H,66,87)(H,67,88)(H,68,92)(H,69,91)(H,70,90)(H,71,89)(H,72,85)(H,73,86)/b39-6-,40-7+/t35-,38+,41-,42-,43-,44-,45-,46-,47-,48+,49+,52+,53-/m0/s1
SMILES [C@@H]1([C@@H](O)C)C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)NCC(=O)N3[C@H](C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N1)CO)Cc1ccccc1)CCC3)CCC(=O)N)O)C[C@@H](O)C[C@H]([C@@H](CC(C)C)O)O)CCC2)CCc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Lyngbya sp. Ref.
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