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 | PAMDB110714 |
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Identification |
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Name: |
precorrin-5 |
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Description: | Octacarboxylate anion of precorrin-5. |
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Structure |
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Synonyms: | |
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Chemical Formula: |
C45H46N4O17
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Average Molecular Weight: |
914.88 |
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Monoisotopic Molecular
Weight: |
922.3483963299 |
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InChI Key: |
OUPXZNRNMLYOGK-YMEZBZPWSA-F |
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InChI: |
InChI=1S/C45H54N4O17/c1-21(50)45-40-26(15-37(61)62)41(2,13-12-35(57)58)30(47-40)16-27-22(6-9-32(51)52)25(14-36(59)60)44(5,48-27)18-29-23(7-10-33(53)54)42(3,19-38(63)64)31(46-29)17-28(49-45)24(8-11-34(55)56)43(45,4)20-39(65)66/h17,24,49H,6-16,18-20H2,1-5H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)/p-8/b28-17-/t24-,41-,42+,43+,44?,45+/m1/s1 |
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CAS
number: |
Not Available |
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IUPAC Name: | 3,3',3'',3'''-[(2S,3S,7S,11S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxylatomethyl)-2,7,11,17-tetramethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoate |
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Traditional IUPAC Name: |
Not Available |
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SMILES: | CC(C35(NC(=CC1(C(C(CCC(=O)[O-])=C(N=1)CC2(C(=C(CCC(=O)[O-])C(=N2)CC4(C(C(=C3N=4)CC(=O)[O-])(C)CCC(=O)[O-]))CC([O-])=O)C)(CC(=O)[O-])C))C(CCC([O-])=O)C(CC(=O)[O-])(C)5))=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as precorrins. These are intermediates formed by methylation at one or more of the four rings prior to the formation of the macrocyclic corrin ring. |
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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 | Corrinoids |
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Direct Parent |
Precorrins |
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Alternative Parents |
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Substituents |
- Precorrin
- Sesterterpenoid
- Alpha-aminoketone
- Pyrrolidine
- Amino acid or derivatives
- Ketimine
- Ketone
- Amino acid
- Carboxylic acid derivative
- Carboxylic acid
- Secondary aliphatic amine
- Enamine
- Azacycle
- Secondary amine
- Organic oxide
- Organopnictogen compound
- Imine
- Organic oxygen compound
- Amine
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Hydrocarbon derivative
- Carbonyl group
- Organic anion
- Aliphatic heteropolycyclic compound
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Molecular Framework |
Aliphatic 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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