input word = C00030678

Metabolite InformationStructural formula
Name LLG 5
Formula C87H156N4O42
Mw 1929.01941514
CAS RN 740849-71-2
C_ID C00030678 ,
InChIKey GIWFNSRXDXVYBS-YHAWRXPDNA-N
InChICode InChI=1S/C87H156N4O42/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-29-32-35-51(99)79(116)88-49(66(108)50(98)34-31-28-25-23-20-21-24-27-30-33-48(3)6-2)45-124-80-72(114)71(113)74(59(43-96)128-80)129-81-73(115)78(70(112)58(42-95)127-81)133-87(84(121)122)38-54(102)64(76(132-87)68(110)56(104)40-93)91-62(107)46-125-85(82(117)118)36-52(100)63(75(130-85)67(109)55(103)39-92)90-61(106)47-126-86(83(119)120)37-53(101)65(89-60(105)44-97)77(131-86)69(111)57(41-94)123-4/h48-59,63-78,80-81,92-104,108-115H,5-47H2,1-4H3,(H,88,116)(H,89,105)(H,90,106)(H,91,107)(H,117,118)(H,119,120)(H,121,122)/t48-,49-,50+,51+,52-,53-,54-,55+,56+,57+,58+,59+,63+,64+,65+,66-,67-,68-,69-,70-,71+,72+,73+,74-,75+,76+,77+,78-,80+,81-,85+,86+,87+/m0/s1
SMILES [C@H]1([C@H](C[C@@](O[C@H]1[C@H]([C@@H](CO)OC)O)(C(=O)O)OCC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@H]([C@@H](CO)O)O)(OCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@H]([C@@H](CO)O)O)(O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O[C@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCC[C@@H](C)CC)O)O)NC(=O)[C@@H](CCCCCCCCCCCCCCCCCCCC)O)CO)CO)O)C(=O)O)O)C(=O)O)O)O)NC(=O)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
AnimaliaOphidiasteridaeLinckia laevigata Ref.
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