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 | PAMDB110715 |
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Identification |
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Name: |
precorrin-4 |
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Description: | Octaanionic form of precorrin-4 arising from global deprotonation of the carboxy groups; major species at pH 7.3. |
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Structure |
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Synonyms: | |
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Chemical Formula: |
C44H44N4O17
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Average Molecular Weight: |
900.85 |
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Monoisotopic Molecular
Weight: |
908.3327462657 |
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InChI Key: |
IOBDBIPWYQGVMM-OQIQSJIMSA-F |
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InChI: |
InChI=1S/C44H52N4O17/c1-20(49)44-40-25(14-37(60)61)41(2,12-11-35(56)57)30(47-40)16-27-21(5-8-32(50)51)22(13-36(58)59)26(45-27)15-28-23(6-9-33(52)53)42(3,18-38(62)63)31(46-28)17-29(48-44)24(7-10-34(54)55)43(44,4)19-39(64)65/h17,24,45,48H,5-16,18-19H2,1-4H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)/p-8/b29-17-/t24-,41-,42+,43+,44+/m1/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: | CC(=O)C25(NC(=CC4(=NC(CC3(NC(CC1(=NC(=C(CC(=O)[O-])C(C)(CCC(=O)[O-])1)2))=C(CCC(=O)[O-])C(CC(=O)[O-])=3))=C(CCC(=O)[O-])C(C)(CC(=O)[O-])4))C(CCC(=O)[O-])C(C)(CC(=O)[O-])5) |
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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
- Substituted pyrrole
- Alpha-aminoketone
- Pyrrole
- Pyrrolidine
- Heteroaromatic compound
- Amino acid
- Ketimine
- Ketone
- Amino acid or derivatives
- Carboxylic acid derivative
- Carboxylic acid
- Secondary aliphatic amine
- Enamine
- Azacycle
- Secondary amine
- Carbonyl group
- Imine
- Hydrocarbon derivative
- Organic oxide
- Organonitrogen compound
- Organooxygen compound
- Amine
- Organic oxygen compound
- Organopnictogen compound
- Organic nitrogen compound
- Organic anion
- Aromatic heteropolycyclic compound
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Molecular Framework |
Aromatic heteropolycyclic compounds |
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External Descriptors |
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Physical Properties |
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State: |
Not Available |
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Charge: | -8 |
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Melting point: |
Not Available |
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Experimental Properties: |
Not Available |
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Predicted Properties |
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Biological Properties |
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Cellular Locations: |
Not Available |
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Reactions: | |
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Pathways: |
- adenosylcobalamin biosynthesis II (late cobalt incorporation)P381-PWY
- cob(II)yrinate a,c-diamide biosynthesis II (late cobalt incorporation)PWY-7376
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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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