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Chemistry

Mol. Mass

616.487

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: [Fe++].CC1=C(CCC(O)=O)C2=CC3=NC(=CC4=C(C)C(C=C)=C([N-]4)C=C5N=C(C=C1[N-]2)C(C=C)=C5C)C(C)=C3CCC(O)=O
  • InChIKey: KABFMIBPWCXCRK-RGGAHWMASA-L
    1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
  • Chirality: None
  • Inorganic: Missing data
  • Polymer: Missing data

Sources

42VZT0U6YR   NCATS
heme *

31VDO12CJY   NCATS
heme iron polypeptide

Iron supplement   Wikipedia

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