input word = C00027997

Metabolite InformationStructural formula
Name Calyculinamide A
Formula C50H83N4O16P
Mw 1026.55416912
CAS RN 187991-80-6
C_ID C00027997 ,
InChIKey GTJWBKWRZBNEEQ-AMRDRNIZNA-N
InChICode InChI=1S/C50H83N4O16P/c1-28(22-41(51)57)16-14-17-29(2)31(4)23-32(5)42(58)34(7)37(55)24-40(66-13)45-46(70-71(62,63)64)49(8,9)50(69-45)25-38(56)33(6)39(68-50)19-15-18-35-26-67-48(53-35)30(3)20-21-52-47(61)44(60)43(59)36(27-65-12)54(10)11/h14-18,22-23,26,30,32-34,36-40,42-46,55-56,58-60H,19-21,24-25,27H2,1-13H3,(H2,51,57)(H,52,61)(H2,62,63,64)/b16-14+,18-15+,28-22-,29-17+,31-23+/t30-,32+,33-,34-,36-,37-,38+,39-,40-,42+,43-,44-,45+,46-,50+/m0/s1
SMILES [C@H]1([C@@H](O[C@@]2(C[C@H]1O)C([C@H]([C@H](O2)[C@H](C[C@@H]([C@@H]([C@@H]([C@@H](/C=C(/C(=C/C=C/C(=C\C(=O)N)/C)/C)\C)C)O)C)O)OC)OP(=O)(O)O)(C)C)C/C=C/c1coc(n1)[C@H](CCNC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Discodermia calyx Ref.
--Lamellomorpha strongylata Ref.
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OrganismLamellomorpha strongylata
ReferenceDumdei,J.Org.Chem.,62,(1997),2636