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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 | PAMDB120350 |
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Identification |
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| Name: |
sirohydrochlorin |
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| Description: | An octuply-charged cyclic tetrapyrrole anion arising from global deprotonation of the carboxy groups of sirohydrochlorin; major species at pH 7.3. |
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Structure |
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| Synonyms: | - sirohydrochlorin
- sirohydrochlorin octaanion
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Chemical Formula: |
C42H38N4O16 |
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| Average Molecular Weight: |
854.779 |
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| Monoisotopic Molecular
Weight: |
862.2909 |
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| InChI Key: |
KWIZRXMMFRBUML-AHGFGAHVSA-F |
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| InChI: | InChI=1S/C42H46N4O16/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/h13-16,23-24,44-45H,3-12,17-18H2,1-2H3,(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-8/b25-13-,29-14-,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-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | CC2(CC(=O)[O-])(C1(=CC5(=NC(=CC4(NC(C=C3(N=C(C=C(N1)C(CCC(=O)[O-])2)C(CC(=O)[O-])=C(CCC(=O)[O-])3))=C(CCC(=O)[O-])C(CC(=O)[O-])=4))C(C)(CC(=O)[O-])C(CCC(=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
- Pyrrole
- Heteroaromatic compound
- Carboxylic acid derivative
- Carboxylic acid
- Azacycle
- Carbonyl group
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Organic anion
- Aromatic heteropolycyclic compound
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| Molecular Framework |
Aromatic heteropolycyclic compounds |
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| External Descriptors |
- a corrin (SIROHYDROCHLORIN)
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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: |
- 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: |
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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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