Record Information |
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Version | 2.0 |
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Creation Date | 2015-06-04 15:11:55 -0600 |
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Update Date | 2015-09-17 16:25:05 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | Adenosyl cobyrinate a,c diamide |
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Description | A cobalt corrinoid that is cob(III)yrinic acid a,c-diamide having a 5'-adenosyl group attached to the central cobalt atom |
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Structure | |
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Synonyms: | - Adenosyl cobyrinate a,c diamide
- Adenosyl cobyrinate diamide
- Adenosyl cobyrinic acid a,c diamide
- Adenosyl cobyrinic acid diamide
- Adenosylcob(III)yrinate a,c-diamide
- Adenosylcob(III)yrinic acid a,c-diamide
- Adenosylcobyrinate a,c-diamide
- Adenosylcobyrinic acid a,c-diamide
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Chemical Formula: | C55H73CoN11O15 |
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Weight: | Average: 1187.184 Monoisotopic: 1186.461406 |
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InChI Key: | OCNLJCZKGHKJGF-UHFFFAOYSA-M |
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InChI: | InChI=1S/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1 |
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CAS number: | Not Available |
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IUPAC Name: | {[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}[(1R,2R,3S,4S,6Z,8S,9S,11Z,14S,18R,19R)-3,8-bis(carbamoylmethyl)-4,9,14,18-tetrakis(2-carboxyethyl)-19-(carboxymethyl)-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1^{2,5}.1^{7,10}.1^{12,15}]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobaltylium |
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Traditional IUPAC Name: | {[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}[(1R,2R,3S,4S,6Z,8S,9S,11Z,14S,18R,19R)-3,8-bis(carbamoylmethyl)-4,9,14,18-tetrakis(2-carboxyethyl)-19-(carboxymethyl)-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1^{2,5}.1^{7,10}.1^{12,15}]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobaltylium |
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SMILES: | [Co++].[H]C1([CH2])OC([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])O.[H]C1(CCC(O)=O)\C2=C\C3=N\C(=C(C)\C4=NC([H])(C([H])(CC(O)=O)C4(C)CCC(O)=O)C4(C)N\C(=C(C)/C(=N2)C1(C)CC([NH-])=O)C([H])(CCC(O)=O)C4(C)CC(O)=N)\C([H])(CCC(O)=O)C3(C)C |
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Chemical Taxonomy |
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Description | 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
- Metallotetrapyrrole skeleton
- Pentacarboxylic acid or derivatives
- 5'-deoxyribonucleoside
- Glycosyl compound
- N-glycosyl compound
- 6-aminopurine
- Imidazopyrimidine
- Purine
- Aminopyrimidine
- Fatty amide
- N-substituted imidazole
- Pyrimidine
- Imidolactam
- Fatty acyl
- Imidazole
- Tetrahydrofuran
- Heteroaromatic compound
- Pyrroline
- Pyrrolidine
- Azole
- Ketimine
- Secondary alcohol
- 1,2-diol
- Carboxamide group
- Primary carboxylic acid amide
- Carboxylic acid derivative
- Oxacycle
- Azacycle
- Carbene-type 1,3-dipolar compound
- Carboxylic acid
- Organic transition metal salt
- Organic cobalt salt
- Organic oxygen compound
- Hydrocarbon derivative
- Imine
- Organic oxide
- Organopnictogen compound
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Primary amine
- Carbonyl group
- Alcohol
- Organic salt
- Amine
- Organic cation
- Aromatic heteropolycyclic compound
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Molecular Framework | Not Available |
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External Descriptors | |
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Physical Properties |
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State: | Not Available |
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Charge: | -1 |
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Melting point: | Not Available |
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Experimental Properties: | |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations: | Cytoplasm |
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Reactions: | |
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SMPDB Pathways: | Not Available |
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KEGG Pathways: | |
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EcoCyc Pathways: | Not Available |
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Concentrations |
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| Not Available |
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Spectra |
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Spectra: | |
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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: | Resource | Link |
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CHEBI ID | 2482 | HMDB ID | HMDB0001083 | Pubchem Compound ID | Not Available | Kegg ID | C06506 | ChemSpider ID | Not Available | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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