7-desmethylmicrocystin LR

• CAT Number: T000042
• CAS Number: 134842-07-2
• Molecular Formula: C48H72N10O12
• Molecular Weight: 981.15
• Purity: ≥95%
• Storage: -20°C
• IUPAC Name: (5R,8R,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
• InChI: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36+,37-,39+/m0/s1
• InChIKey: WLWITBHAANNFHV-YNYQYFAYSA-N
• SMILES: CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)NC(=O)CCC(NC1=O)C(=O)O)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C

7-desmethylmicrocystin LR (CAS 134842-07-2) was isolated from Microcystis aeruginosa, which used as the component of Microcyctin-LR-Protein conjugate to induce cytotoxicity in the research. 

Reference

1.Nagata, Satoshi, et al. "Novel monoclonal antibodies against microcystin and their protective activity for hepatotoxicity." Natural toxins 3.2 (1995): 78-86.
2.Harada, Ken-ichi, et al. "Isolation of two toxic heptapeptide microcystins from an axenic strain of Microcystis aeruginosa, K-139." Toxicon 29.4-5 (1991): 479-489.