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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 | PAMDB110719 |
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Identification |
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| Name: |
precorrin-2 |
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| Description: | Heptaanionic form of precorrin-2. |
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Structure |
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| Synonyms: | |
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Chemical Formula: |
C42H41N4O16
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| Average Molecular Weight: |
857.8 |
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| Monoisotopic Molecular
Weight: |
865.3143565473 |
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| InChI Key: |
OQIIYZQTTMKFAU-ZNLOQLQNSA-G |
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| InChI: |
InChI=1S/C42H48N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,23-24,43-45H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/p-7/b29-14-,31-15-,32-16-/t23-,24-,41+,42+/m1/s1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 3,3',3'',3'''- [(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | CC5(CC(=O)[O-])(C(C4(=CC1(NC(=C(CCC(=O)[O-])C(CC(=O)[O-])=1)CC2(=C(CCC(=O)[O-])C(CC(=O)[O-])=C(N2)C=C3(C(C)(CC(=O)[O-])C(CCC(=O)[O-])C(=N3)C=C([N+]4)5)))))CCC(=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 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
- Pyrrole
- Pyrrolidine
- Pyrroline
- Heteroaromatic compound
- Carboxylic acid salt
- Ketimine
- Azacycle
- Carbene-type 1,3-dipolar compound
- Carboxylic acid
- Carboxylic acid derivative
- Organopnictogen compound
- Organic oxide
- Organic nitrogen compound
- Carbonyl group
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Imine
- Organic salt
- 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: | -7 |
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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
- cob(II)yrinate a,c-diamide biosynthesis I (early cobalt insertion)PWY-7377
- siroheme biosynthesisPWY-5194
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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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