| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-10 17:00:49 UTC |
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| Update Date | 2020-04-22 18:55:55 UTC |
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| BMDB ID | BMDB0096077 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Lipoyl-GMP |
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| Description | Lipoyl-GMP belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. Based on a literature review very few articles have been published on Lipoyl-GMP. |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C18H26N5O9PS2 |
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| Average Molecular Weight | 551.531 |
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| Monoisotopic Molecular Weight | 551.090955347 |
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| IUPAC Name | {[(2R,3S,4R,5R)-5-{2-[5-(1,2-dithiolan-3-yl)pentanamido]-6-oxo-6,9-dihydro-1H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid |
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| Traditional Name | [(2R,3S,4R,5R)-5-{2-[5-(1,2-dithiolan-3-yl)pentanamido]-6-oxo-1H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid |
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| CAS Registry Number | Not Available |
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| SMILES | O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C(NC(=O)CCCCC1CCSS1)NC2=O |
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| InChI Identifier | InChI=1S/C18H26N5O9PS2/c24-11(4-2-1-3-9-5-6-34-35-9)20-18-21-15-12(16(27)22-18)19-8-23(15)17-14(26)13(25)10(32-17)7-31-33(28,29)30/h8-10,13-14,17,25-26H,1-7H2,(H2,28,29,30)(H2,20,21,22,24,27)/t9?,10-,13-,14-,17-/m1/s1 |
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| InChI Key | DVZGUOFXTLKZTJ-LQLSJNDNSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. |
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| Kingdom | Organic compounds |
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| Super Class | Nucleosides, nucleotides, and analogues |
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| Class | Purine nucleotides |
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| Sub Class | Purine ribonucleotides |
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| Direct Parent | Purine ribonucleoside monophosphates |
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| Alternative Parents | |
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| Substituents | - Purine ribonucleoside monophosphate
- Pentose phosphate
- Pentose-5-phosphate
- Lipoamide
- Glycosyl compound
- N-glycosyl compound
- 6-oxopurine
- Hypoxanthine
- Monosaccharide phosphate
- Pentose monosaccharide
- Imidazopyrimidine
- Purine
- N-arylamide
- Monoalkyl phosphate
- Pyrimidone
- Fatty acyl
- Fatty amide
- Monosaccharide
- N-substituted imidazole
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Pyrimidine
- Tetrahydrofuran
- 1,2-dithiolane
- Heteroaromatic compound
- Dithiolane
- Imidazole
- Vinylogous amide
- Azole
- Secondary alcohol
- Organic disulfide
- Secondary carboxylic acid amide
- 1,2-diol
- Carboxamide group
- Organoheterocyclic compound
- Oxacycle
- Azacycle
- Carboxylic acid derivative
- Organic oxide
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organonitrogen compound
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organooxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | 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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| Spectra |
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| Spectra | |
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