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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 | PAMDB120442 |
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Identification |
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| Name: |
Mg-protoporphyrin |
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| Description: | The conjugate base of magnesium protoporphyrin, formed by deprotonation of the carboxyethyl groups at C-13 and C-17. It is the principal species at pH 7.3. |
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Structure |
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| Synonyms: | - Mg-protoporphyrin IX
- magnesium protoporphyrin
- MgP
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Chemical Formula: |
C34H30N4O4MG |
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| Average Molecular Weight: |
582.94 |
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| Monoisotopic Molecular
Weight: |
584.2274 |
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| InChI Key: |
REJJDEGSUOCEEW-RGGAHWMASA-J |
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| InChI: | InChI=1S/C34H34N4O4.Mg/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-4/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; |
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| CAS
number: |
Not Available |
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| IUPAC Name: | Not Available |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | C=CC1(C5(N6(C(C=1C)=CC2(C(=C(C(N=2)=CC3(N(C(=C(C=3CCC([O-])=O)C)C=C4(C(=C(C(=N4)C=5)C)C=C))[Mg]6))CCC(=O)[O-])C)))) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as metalloporphyrins. These are polycyclic compounds containing a porphyrin moiety and a metal atom. |
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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 | Metallotetrapyrroles |
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Direct Parent |
Metalloporphyrins |
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| Alternative Parents |
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| Substituents |
- Metalloporphyrin
- Porphyrin
- Dicarboxylic acid or derivatives
- Substituted pyrrole
- Pyrrole
- Heteroaromatic compound
- Carboxylic acid salt
- Azacycle
- Carboxylic acid
- Carboxylic acid derivative
- Organic salt
- Organic oxide
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Carbonyl group
- Hydrocarbon derivative
- Organic anion
- Aromatic heteropolycyclic compound
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| Molecular Framework |
Aromatic heteropolycyclic 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: | -2 |
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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 | 582.943 g/mol | PubChem | | Hydrogen Bond Donor Count | 0 | PubChem | | Hydrogen Bond Acceptor Count | 8 | PubChem | | Rotatable Bond Count | 6 | PubChem | | Exact Mass | 582.212 g/mol | PubChem | | Monoisotopic Mass | 582.212 g/mol | PubChem | | Topological Polar Surface Area | 107 A^2 | PubChem | | Heavy Atom Count | 43 | PubChem | | Formal Charge | -2 | PubChem | | Complexity | 1570 | PubChem | | Isotope Atom Count | 0 | PubChem | | Defined Atom Stereocenter Count | 0 | PubChem | | Undefined Atom Stereocenter Count | 0 | PubChem | | Defined Bond Stereocenter Count | 0 | PubChem | | Undefined Bond Stereocenter Count | 0 | PubChem | | Covalently-Bonded Unit Count | 2 | 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: |
- chlorophyllide a biosynthesis III (aerobic, light independent)PWY-7159
- chlorophyllide a biosynthesis I (aerobic, light-dependent)CHLOROPHYLL-SYN
- chlorophyllide a biosynthesis II (anaerobic)PWY-5531
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
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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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