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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB100082 |
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Identification |
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| Name: |
Alpha Biliverdin |
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| Description: | A linear tetrapyrrole produced in the reticuloendothelial system by the first step of heme degradation, catalysed by heme oxygenase. |
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Structure |
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| Synonyms: |
- 8,12-bis(2-carboxyethyl)-2,7,13,17-tetramethyl-3,18-divinylbilin-1(19)(21H,24H)-dione
- Biliverdin
- Biliverdine
- Biliverdin IX alpha
- Dehydrobilirubin
- Uteroverdine
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Chemical Formula: |
C33H34N4O6 |
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| Average Molecular Weight: |
Not Available |
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| Monoisotopic Molecular
Weight: |
582.247864 |
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| InChI Key: |
GWZYPXHJIZCRAJ-SRVCBVSDSA-N |
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| InChI: | InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15- |
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| CAS
number: |
114-25-0 |
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| IUPAC Name: | biliverdin |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | CC1=C(CCC(O)=O)\C(/N=C1/C=C1NC(=O)C(C=C)=C/1C)=C\c1[nH]c(\C=C2NC(=O)C(C)=C/2C=C)c(C)c1CCC(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 bilirubins. These are organic compounds containing a dicarboxylic acyclic tetrapyrrole derivative. |
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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 | Bilirubins |
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Direct Parent |
Bilirubins |
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| Alternative Parents |
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| Substituents |
- Bilirubin skeleton
- Dipyrrin
- Dicarboxylic acid or derivatives
- Substituted pyrrole
- Pyrrole
- Pyrroline
- Heteroaromatic compound
- Carboxamide group
- Ketimine
- Lactam
- Secondary carboxylic acid amide
- Azacycle
- Organic 1,3-dipolar compound
- Carboxylic acid derivative
- Carboxylic acid
- Propargyl-type 1,3-dipolar organic compound
- Hydrocarbon derivative
- Imine
- Organopnictogen compound
- Organic oxygen compound
- Carbonyl group
- Organic oxide
- Organonitrogen compound
- Organooxygen 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: |
| Property | Value | Source |
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| Melting Point | 1750 °C (Decomposes) | LabNetwork |
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| Predicted Properties |
| Property | Value | Source |
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| Density | 1.3±0.1 g/cm3 | ACD/Labs | | Boiling Point | 913.2±65.0 °C at 760 mmHg | ACD/Labs | | Vapor Pressure | 0.0±0.3 mmHg at 25°C | ACD/Labs | | Enthalpy of Vaporization | 139.1±3.0 kJ/mol | ACD/Labs | | Flash Point | 506.1±34.3 °C | ACD/Labs | | Index of Refraction | 1.640 | ACD/Labs | | Molar Refractivity | 160.7±0.5 cm3 | ACD/Labs | | LogP | 2.59 | ACD/Labs |
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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: |
Not Available |
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