input word = C00031597

Metabolite InformationStructural formula
Name Anabaenopeptin B
Formula C41H60N10O9
Mw 836.45447359
CAS RN 161897-74-1
C_ID C00031597 ,
InChIKey ZDOVFDLIJJGVQM-DRXQOAHKNA-N
InChICode InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31-,32-,33-/m0/s1
SMILES C1(=O)N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@H]1CCc1ccc(cc1)O)C(C)C)NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)Cc1ccccc1)C)C
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Lys L-Asp
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeAnabaena flos-aquae NRC525-17 Ref.
PlantaeEuphorbiaceaeAnabaena sp. 202A2/41 Ref.
PlantaeEuphorbiaceaeAnabaena sp. 90 Ref.
--Oscillatoria agardhii 97 Ref.
--Oscillatoria agardhii CYA128 Ref.
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