cyanoginosin LR

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 369
Total Number of Articles : 265
PubChem 445434
Molecular Formula

C49H74N10O12

SMILES

C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C

InChI

InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1

synonyms
  • Microcystin-LR
  • Microcystin LR
  • 101043-37-2
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Properties
Property Value
MW 995.2 g/mol
HBD 10
HBA 13
Rotatable Bond Count 15
Exact Mass 994.54876783 g/mol
Monoisotopic Mass 994.54876783 g/mol
Heavy Atom Count 71
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 2000
xlogp 2.3
Topological Polar Surface Area 343