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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 | PAMDB110842 |
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Identification |
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| Name: |
cobinamide |
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| Description: | Cobinamide is an intermediate in porphyrin and chlorophyll metabolism. It is converted to adenosyl cobinamide via the enzyme cob(I)alamin adenosyltransferase [EC:2.5.1.17]. Adenosyl cobinamide is the third to last step in the synthesis of vitamin B12 coenzyme. |
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Structure |
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| Synonyms: | -
Cbi
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cobyrinic acid a,c-diamide
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Chemical Formula: |
C48H72N11O8Co
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| Average Molecular Weight: |
990.1 |
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| Monoisotopic Molecular
Weight: |
989.4897335452 |
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| InChI Key: |
XQRJFEVDQXEIAX-JFYQDRLCSA-M |
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| InChI: |
InChI=1S/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);/q;+1/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;/m1./s1 |
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| CAS
number: |
13497-85-3 |
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| IUPAC Name: | [(1R,2R,3S,4S,8S,9S,14S,18R,19R)-4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-(2-{[(2R)-2-hydroxypropyl]carbamoyl}ethyl)-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1?,??1?????1??,???tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobaltbis(ylium) |
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Traditional IUPAC Name: |
[(1R,2R,3S,4S,8S,9S,14S,18R,19R)-4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-(2-{[(2R)-2-hydroxypropyl]carbamoyl}ethyl)-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1?,??1?????1??,???tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobaltbis(ylium) |
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| SMILES: | CC(O)CNC(=O)CCC5(C)(C(CC(=O)N)[CH]7(C8(C)(C(C)(CC(N)=O)C(CCC(N)=O)C1(=[N+]([Co---]26([N+]4(C(=CC3(C(CCC(N)=O)C(C)(CC(N)=O)C(=C(C)1)[N+]2=3))C(C)(C)C(CCC(N)=O)C=4C(C)=C5N67)))8)))) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom. |
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Kingdom |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Organoheterocyclic compounds |
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| Sub Class | Tetrapyrroles and derivatives |
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Direct Parent |
Metallotetrapyrroles |
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| Alternative Parents |
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| Substituents |
- Metallotetrapyrrole skeleton
- Fatty amide
- Fatty acyl
- Pyrrolidine
- Pyrroline
- Carboxamide group
- Ketimine
- Primary carboxylic acid amide
- Secondary alcohol
- Secondary carboxylic acid amide
- Carbene-type 1,3-dipolar compound
- Azacycle
- Carboxylic acid derivative
- Organic transition metal salt
- Alcohol
- Organic cobalt salt
- Organic oxide
- Organopnictogen compound
- Carbonyl group
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Imine
- Organic nitrogen compound
- Organic salt
- Hydrocarbon derivative
- Organic cation
- 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: |
Solid |
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| Charge: | +2 |
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Melting point: |
Not Available |
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| Experimental Properties: |
| Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | 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: |
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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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