input word = C00043910

Metabolite InformationStructural formula
Name seco[D-Asp3]microcystin-RR
(-)-seco[D-Asp3]microcystin-RR
Formula C48H75N13O13
Mw 1041.56072958
CAS RN 671246-44-9
C_ID C00043910 ,
InChIKey RDMMSXPNHDOGME-BXHHHDLMNA-N
InChICode InChI=1S/C48H75N13O13/c1-26(23-27(2)37(74-7)24-31-13-9-8-10-14-31)17-18-32(28(3)40(65)60-35(45(70)71)19-20-38(63)53-6)58-43(68)33(15-11-21-54-47(49)50)57-39(64)25-36(46(72)73)61-44(69)34(16-12-22-55-48(51)52)59-41(66)29(4)56-42(67)30(5)62/h8-10,13-14,17-18,23,27-29,32-37H,11-12,15-16,19-22,24-25H2,1-7H3,(H,53,63)(H,56,67)(H,57,64)(H,58,68)(H,59,66)(H,60,65)(H,61,69)(H,70,71)(H,72,73)(H4,49,50,54)(H4,51,52,55)/b18-17+,26-23+/t27-,28-,29+,32-,33-,34-,35+,36+,37-/m0/s1
SMILES c1(C[C@@H]([C@H](/C=C(/C=C/[C@@H]([C@@H](C(=O)N[C@H](CCC(=O)NC)C(=O)O)C)NC(=O)[C@@H](NC(=O)C[C@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)C(=O)C)CCCNC(=N)N)CCCNC(=N)N)\C)C)OC)ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaPhormidiaceaePlanktothrix rubescens Ref.
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