input word = C00028487

Metabolite InformationStructural formula
Name Longiside
Formula C52H101NO15
Mw 979.71712156
CAS RN 160436-11-3
C_ID C00028487 ,
InChIKey OMNMNQZRBOEACG-MTOJRRJFNA-N
InChICode InChI=1S/C52H101NO15/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-40(57)50(64)53-38(43(59)39(56)33-31-29-27-25-14-12-10-8-6-4-2)37-65-51-47(63)49(44(60)42(36-55)66-51)68-52-46(62)45(61)48(67-52)41(58)35-54/h38-49,51-52,54-63H,3-37H2,1-2H3,(H,53,64)/t38-,39+,40+,41+,42+,43-,44-,45-,46+,47+,48-,49-,51-,52+/m0/s1
SMILES CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@H](O)CO)[C@H](O)[C@H]2O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas longissima Ref.
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