microcystin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 95
Total Number of Articles : 95
PubChem 56841897
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](N(C1=O)C)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)O)/C

InChI

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

synonyms
  • Microcystin
  • Cyanoginosin
  • Fast-death factor
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Properties
Property Value
MW 995.2 g/mol
HBD 10
HBA 13
Rotatable Bond Count 14
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 2010
xlogp 1.9
Topological Polar Surface Area 345