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    Chemistry

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    Also known as: Heme, Heme b, 14875-96-8, Ferroprotoporphyrin, Ferroheme, Reduced hematin
    Molecular Formula
    C34H32FeN4O4
    Molecular Weight
    616.5  g/mol
    InChI Key
    KABFMIBPWCXCRK-UHFFFAOYSA-L
    FDA UNII
    42VZT0U6YR
    Heme
    The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins.
    1 2D Structure

    Heme

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+)
    2.1.2 InChI
    InChI=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
    2.1.3 InChI Key
    KABFMIBPWCXCRK-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Fe+2]
    2.2 Other Identifiers
    2.2.1 UNII
    42VZT0U6YR
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ferroprotoporphyrin

    2. Haem

    3. Heme

    4. Heme B

    5. Protoheme Ix

    2.3.2 Depositor-Supplied Synonyms

    1. Heme

    2. Heme B

    3. 14875-96-8

    4. Ferroprotoporphyrin

    5. Ferroheme

    6. Reduced Hematin

    7. Haem

    8. Protoheme Ix

    9. Iron Protoporphyrin Ix

    10. Hematin

    11. Protohaem

    12. Ferrous Protoheme

    13. Iron Protoporphyrin

    14. Ferrous Protoheme Ix

    15. Ferroprotoporphyrin Ix

    16. 42vzt0u6yr

    17. Iron(ii) Protoporphyrin Ix

    18. Normosang

    19. 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic Acid;iron(2+)

    20. Protoheme Ix (van)

    21. Ferroheme (van)

    22. Heme (van)

    23. Hem

    24. Unii-42vzt0u6yr

    25. Nsc 16669

    26. Globifer

    27. Nsc 267100

    28. Human Hemin

    29. Heme Iron

    30. Heme [mi]

    31. Gtpl4349

    32. Mfcd00870215

    33. Ferrate(2-), (7,12-diethenyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-dipropanoato(4-)-n21,n22,n23,n24)-, Dihydrogen, (sp-4-2)-

    34. 85758-ep2270016a1

    35. 85758-ep2270505a1

    36. 85758-ep2305243a1

    37. 85758-ep2305825a1

    38. Q620084

    39. Iron, (dihydrogen 3,7,12,17-tetramethyl-8,13-divinyl-2,18-porphinedipropionato(2-))-

    40. [7,12-diethenyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-dipropanoato(4-)-n^21,n^22,n^23,n^24]-ferrate(2-)dihydrogen

    41. 3-[18-(2-carboxyethyl)-3,8,13,17-tetramethyl-7,12-divinyl-porphyrin-21,23-diid-2-yl]propanoic Acid

    42. Ferrate(2-), (7,12-diethenyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-dipropanoato(4-)-kappan21,kappan22,kappan23,kappan24)-, Dihydrogen, (sp-4-2)-

    43. Ferrate(2-), (7,12-diethenyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-dipropanoato(4-)-kappan21,kappan22,kappan23,kappan24)-, Hydrogen (1:2), (sp-4-2)-

    44. Ferrous 3-[(1z,4z,9z,15z)-18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-divinyl-21,23-dihydroporphyrin-2-yl]propanoic Acid

    2.4 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 616.5 g/mol
    Molecular Formula C34H32FeN4O4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count8
    Exact Mass616.177291 g/mol
    Monoisotopic Mass616.177291 g/mol
    Topological Polar Surface Area102 Ų
    Heavy Atom Count43
    Formal Charge0
    Complexity1010
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    API Reference Price

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    02-Oct-2023
    30-Oct-2024
    KGS
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    Average Price (USD/KGS)

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    Quantity (KGS) & Unit rate (USD/KGS) over time

    API Imports and Exports

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    (USD/KGS)    		 Number of Transactions

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