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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 | PAMDB120192 |
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Identification |
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| Name: |
chlorophyllide a |
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| Description: | A cyclic tetrapyrrole anion that is the conjugate base of chlorophyllide a arising from deprotonation of the carboxy group; major species at pH 7.3. |
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Structure |
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| Synonyms: | |
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Chemical Formula: |
C35H32N4O5MG |
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| Average Molecular Weight: |
612.967 |
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| Monoisotopic Molecular
Weight: |
614.238 |
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| InChI Key: |
IZOAGQOHKWGYKF-PVMVIUQGSA-K |
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| InChI: | InChI=1S/C35H35N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,17,21H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q-1;+2/p-3/t17-,21-;/m0./s1 |
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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=CC2(=C(C)C5(=CC1(C(C)C(CCC(=O)[O-])C(N=1)=C7([C-](C(OC)=O)C(=O)C6(C(C)=C4(N([Mg]N(C2=CC3(C(C)=C(CC)C(N=3)=C4))5)C=67)))))) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with 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 |
Metallotetrapyrroles |
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| Alternative Parents |
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| Substituents |
- Metallotetrapyrrole skeleton
- Aryl ketone
- Dicarboxylic acid or derivatives
- Substituted pyrrole
- Pyrrole
- Pyrroline
- Heteroaromatic compound
- Methyl ester
- Vinylogous amide
- Carboxylic acid ester
- Ketimine
- Ketone
- Organic metal salt
- Carboxylic acid
- Carboxylic acid derivative
- Metalloheterocycle
- Azacycle
- Organonitrogen compound
- Organic oxygen compound
- Carbonyl group
- Imine
- Organic nitrogen compound
- Organooxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organic salt
- 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: | -1 |
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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 | 613.977 g/mol | PubChem | | Hydrogen Bond Donor Count | 0 | PubChem | | Hydrogen Bond Acceptor Count | 9 | PubChem | | Rotatable Bond Count | 6 | PubChem | | Exact Mass | 613.23 g/mol | PubChem | | Monoisotopic Mass | 613.23 g/mol | PubChem | | Topological Polar Surface Area | 110 A^2 | PubChem | | Heavy Atom Count | 45 | PubChem | | Formal Charge | -1 | PubChem | | Complexity | 1650 | PubChem | | Isotope Atom Count | 0 | PubChem | | Defined Atom Stereocenter Count | 3 | 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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