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    Porphobilinogen

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 487-90-1, 3-[5-(aminomethyl)-4-(carboxymethyl)-1h-pyrrol-3-yl]propanoic acid, 5-(aminomethyl)-4-(carboxymethyl)-1h-pyrrole-3-propanoic acid, 5-(aminomethyl)-4-(carboxymethyl)-1h-pyrrole-3-propionic acid, 1h-pyrrole-3-propanoic acid, 5-(aminomethyl)-4-(carboxymethyl)-, 3-(5-(aminomethyl)-4-(carboxymethyl)-1h-pyrrol-3-yl)propanoic acid
    Molecular Formula
    C10H14N2O4
    Molecular Weight
    226.23  g/mol
    InChI Key
    QSHWIQZFGQKFMA-UHFFFAOYSA-N
    FDA UNII
    74KHC72QXK
    Porphobilinogen is a metabolite found in or produced by Saccharomyces cerevisiae.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid
    2.1.2 InChI
    InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)
    2.1.3 InChI Key
    QSHWIQZFGQKFMA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C(=C(N1)CN)CC(=O)O)CCC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    74KHC72QXK
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 487-90-1

    2. 3-[5-(aminomethyl)-4-(carboxymethyl)-1h-pyrrol-3-yl]propanoic Acid

    3. 5-(aminomethyl)-4-(carboxymethyl)-1h-pyrrole-3-propanoic Acid

    4. 5-(aminomethyl)-4-(carboxymethyl)-1h-pyrrole-3-propionic Acid

    5. 1h-pyrrole-3-propanoic Acid, 5-(aminomethyl)-4-(carboxymethyl)-

    6. 3-(5-(aminomethyl)-4-(carboxymethyl)-1h-pyrrol-3-yl)propanoic Acid

    7. 74khc72qxk

    8. Chebi:17381

    9. 3-[5-(aminomethyl)-4-(carboxymethyl)-1h-pyrrol-3-yl]propanoic Acid Hydrate

    10. 2-aminomethylpyrrol-3-acetic Acid 4-propionic Acid

    11. Unii-74khc72qxk

    12. 5-(aminomethyl)-4-(carboxymethyl)-pyrrole-3-propionic Acid

    13. Einecs 207-666-3

    14. Porphobilinogen, Powder

    15. Porphobilinogen [mi]

    16. Schembl188532

    17. Chembl1235151

    18. Dtxsid4060070

    19. Zinc56609

    20. Akos015894423

    21. Cs-w014211

    22. Db02272

    23. Hy-w013495

    24. Ft-0673977

    25. C00931

    26. Q421178

    27. 5-(aminomethyl)-4-(carboxymethyl)-pyrrole-3-propionate

    28. Pyrrole-3-propionic Acid, 5-(aminomethyl)-4-(carboxymethyl)-

    29. 3-(5-(aminomethyl)-4-(carboxymethyl)-1h-pyrrol-3-yl)propanoicacid

    30. 3-(5-aminomethyl-4-carboxymethyl-1h-pyrrol-3-yl)-propionic Acid

    31. 49e0a216-4ad4-42e3-b491-2a6371927562

    32. 1h-pyrrole-3-propanoic Acid, 5-(aminomethyl)-4-(carboxymethyl)- (9ci)

    33. Pyrrole-3-propionic Acid, 5-(aminomethyl)-4-(carboxymethyl)- (6ci,8ci)

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 226.23 g/mol
    Molecular Formula C10H14N2O4
    XLogP3-3.5
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass226.09535693 g/mol
    Monoisotopic Mass226.09535693 g/mol
    Topological Polar Surface Area116 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity270
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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