input word = C00016893

Metabolite InformationStructural formula
Name Cyanopeptolin A
Formula C46H72N10O12
Mw 956.53311784
CAS RN 152839-28-6
C_ID C00016893 ,
InChIKey XKZZUWLVOGBTLH-UHFFFAOYNA-N
InChICode InChI=1S/C46H72N10O12/c1-8-9-11-18-34(57)50-31(24-36(59)60)40(62)54-38-27(6)68-45(67)37(26(4)5)53-41(63)32(23-28-15-12-10-13-16-28)55(7)44(66)33(22-25(2)3)56-35(58)20-19-30(43(56)65)52-39(61)29(51-42(38)64)17-14-21-49-46(47)48/h10,12-13,15-16,25-27,29-33,35,37-38,58H,8-9,11,14,17-24H2,1-7H3,(H,50,57)(H,51,64)(H,52,61)(H,53,63)(H,54,62)(H,59,60)(H4,47,48,49)/t27-,29+,30+,31-,32+,33+,35+,37-,38+/m1/s1
SMILES C1C[C@@H](N2[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@@H]1C2=O)CCCNC(=N)N)NC(=O)[C@H](NC(=O)CCCCC)CC(=O)O)C)C(C)C)Cc1ccccc1)C)CC(C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Microcystis sp. PCC 7806 Ref.
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