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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB100090 |
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Identification |
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| Name: |
Delta Biliverdin |
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| 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." |
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Structure |
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| Synonyms: |
- Biliverdin IX delta
- 29575-16-4
- BV-IXδ
- δ-Biliverdin
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Chemical Formula: |
C33H34N4O6 |
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| Average Molecular Weight: |
582.66 |
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| Monoisotopic Molecular
Weight: |
Not Available |
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| InChI Key: |
INFDGUKTNKSIPV-JPDNPZEVSA-N |
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| InChI: | InChI=1S/C33H34N4O6/c1-7-20-16(3)24(14-27-21(8-2)18(5)32(42)36-27)34-26(20)13-25-17(4)22(9-11-30(38)39)28(35-25)15-29-23(10-12-31(40)41)19(6)33(43)37-29/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,36,42)(H,38,39)(H,40,41)/b25-13-,27-14-,28-15? |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 3-[(5Z)-2-[[3-(2-carboxyethyl)-4-methyl-5-oxopyrrol-2-yl]methylidene]-5-[[3-ethenyl-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoic acid |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | CC1=C(C(=CC2=NC(=O)C(=C2CCC(=O)O)C)NC1=CC3=C(C(=C(N3)C=C4C(=C(C(=O)N4)C)C=C)C)C=C)CCC(=O)O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as tetrapyrroles and derivatives. These are polycyclic aromatic compounds containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next. |
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Kingdom |
Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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Class |
Tetrapyrroles and derivatives |
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| Sub Class | Not Available |
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Direct Parent |
Tetrapyrroles and derivatives |
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| Alternative Parents |
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| Substituents |
- Tetrapyrrole skeleton
- Dipyrrin
- Dicarboxylic acid or derivatives
- Substituted pyrrole
- Pyrrole
- Pyrroline
- Heteroaromatic compound
- Carboxamide group
- Lactam
- Secondary carboxylic acid amide
- N-acylimine
- Carboxylic acid
- Azacycle
- Organic 1,3-dipolar compound
- Carboxylic acid derivative
- Propargyl-type 1,3-dipolar organic compound
- Hydrocarbon derivative
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Organic oxygen compound
- Organic nitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework |
Aromatic heteromonocyclic compounds |
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| External Descriptors |
Not Available |
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Physical Properties |
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| State: |
Not Available |
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| Charge: | Not Available |
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Melting point: |
Not Available |
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| Experimental Properties: |
Not Available |
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| Predicted Properties |
| Property | Value | Source |
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| Molecular Weight |
582.657 g/mol | PubChem |
| XLogP3 |
2.5 | PubChem |
| Hydrogen Bond Donor Count |
5 | PubChem |
| Hydrogen Bond Acceptor Count |
7 | PubChem |
| Rotatable Bond Count |
11 | PubChem |
| Exact Mass |
582.248 g/mol | PubChem |
| Monoisotopic Mass |
582.248 g/mol | PubChem |
| Topological Polar Surface Area |
161 A^2 | PubChem |
| Heavy Atom Count |
43 | PubChem |
| Formal Charge |
0 | PubChem |
| Complexity |
1530 | PubChem |
| Isotope Atom Count |
0 | PubChem |
| Defined Atom Stereocenter Count |
0 | PubChem |
| Undefined Atom Stereocenter Count |
0 | PubChem |
| Defined Bond Stereocenter Count |
2 | PubChem |
| Undefined Bond Stereocenter Count |
1 | PubChem |
| Covalently-Bonded Unit Count |
1 | PubChem |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
Not Available |
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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