input word = C00026793

Metabolite InformationStructural formula
Name Celogentin D
Formula C57H82N18O11
Mw 1194.64104559
CAS RN 602308-60-1
C_ID C00026793 ,
InChIKey FHWIRTXPSAFRCL-DMOVCZTENA-N
InChICode InChI=1S/C57H82N18O11/c1-7-29(6)44-53(82)71-43(28(4)5)52(81)70-39-22-33-32-15-14-30(42(27(2)3)46(55(84)72-44)74-49(78)35-16-17-41(76)65-35)20-37(32)66-47(33)75-24-31(64-26-75)21-38(69-48(77)34(67-50(39)79)13-11-19-62-57(59)60)51(80)73-45(40-23-61-25-63-40)54(83)68-36(56(85)86)12-9-8-10-18-58/h14-15,20,23-29,34-36,38-39,42-46,66H,7-13,16-19,21-22,58H2,1-6H3,(H,61,63)(H,65,76)(H,67,79)(H,68,83)(H,69,77)(H,70,81)(H,71,82)(H,72,84)(H,73,80)(H,74,78)(H,85,86)(H4,59,60,62)/t29-,34-,35+,36-,38-,39-,42+,43+,44-,45-,46-/m0/s1
SMILES CCC(C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCC(=O)N2)C(C(C)C)c2ccc3c4c([nH]c3c2)-n2cnc(c2)C[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCCN)C(=O)O)c2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C4)NC(=O)C(C(C)C)NC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Lys
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeCelosia argentea Ref.
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