Calcimycin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1246
Total Number of Articles : 2451
PubChem 73759809
Molecular Formula

C29H37N3O6

SMILES

CC1CC[C@]2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC

InChI

InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15?,16?,17?,18?,22?,27?,29-/m0/s1

synonyms
  • Calcimycin
  • Calcium ionophore A23187
  • A-23187;Antibiotic A-23187
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Properties
Property Value
MW 523.6 g/mol
HBD 3
HBA 8
Rotatable Bond Count 7
Exact Mass 523.26823591 g/mol
Monoisotopic Mass 523.26823591 g/mol
Heavy Atom Count 38
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 873
xlogp 5.9
Topological Polar Surface Area 127