Beta Biliverdin (PAMDB100089)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB100089
Identification
Name: Beta Biliverdin
Description:Product of oxidative heme degradation produced by Pseudomonas aeruginosa. Produced via the catalytic activity of the Pseudomonas aeruginosa heme oxygenase (paHO) . Catalytic oxidative cleavage of heme to beta biliverdin by paHO facilitates the acquisition of iron by P. aeruginosa, and protects against redox-active "free heme."
Structure
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🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:

• BV-IXβ

• β-Biliverdin

• biliverdin XIII beta

• biliverdin XIIIb

Chemical Formula:

C33H34N4O6

Average Molecular Weight: 582.66
Monoisotopic Molecular Weight: Not Available
InChI Key: YIALZBLMEJCLRF-HKRFAYMPSA-N
InChI:InChI=1S/C33H34N4O6/c1-7-20-16(3)24(13-26-17(4)21(8-2)33(43)36-26)34-27(20)14-25-18(5)22(9-11-30(38)39)28(35-25)15-29-23(10-12-31(40)41)19(6)32(42)37-29/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13+,27-14+,29-15-
CAS number: 70695-22-6
IUPAC Name:3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(E)-[(5E)-3-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-5-oxopyrrol-3-yl]propanoic acid
Traditional IUPAC Name: Not Available
SMILES:CC1=C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(=CC4=NC(=O)C(=C4C)C=C)N3)C)C=C)C)CCC(=O)O
Chemical Taxonomy
Taxonomy DescriptionNot Available
Kingdom Not Available
Super ClassNot Available
Class Not Available
Sub ClassNot Available
Direct Parent Not Available
Alternative Parents Not Available
Substituents Not Available
Molecular Framework Not Available
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight 582.657 g/molPubChem
XLogP3 2.5PubChem
Hydrogen Bond Donor Count 5PubChem
Hydrogen Bond Acceptor Count 7PubChem
Rotatable Bond Count 11PubChem
Exact Mass 582.248 g/molPubChem
Monoisotopic Mass 582.248 g/molPubChem
Topological Polar Surface Area 161 A^2PubChem
Heavy Atom Count 43PubChem
Formal Charge 0PubChem
Complexity 1530PubChem
Isotope Atom Count 0PubChem
Defined Atom Stereocenter Count 0PubChem
Undefined Atom Stereocenter Count 0PubChem
Defined Bond Stereocenter Count 3PubChem
Undefined Bond Stereocenter Count 0PubChem
Covalently-Bonded Unit Count 1PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Heme b + O2 → Beta biliverdin + Delta biliverdin + CO + Fe
Heme b + O2 → Alpha biliverdin + CO + Fe
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    Resource Link
    PubChem 6449908