| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:34:07 UTC |
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| Update Date | 2020-04-22 15:49:01 UTC |
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| BMDB ID | BMDB0012206 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | CMP-N-glycoloylneuraminate |
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| Description | CMP-N-glycoloylneuraminate, also known as CMP-N-glycoloylneuraminic acid, belongs to the class of organic compounds known as pyrimidine ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate group linked to the ribose moiety. CMP-N-glycoloylneuraminate is a moderately basic compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| CMP-N-Glycoloylneuraminic acid | Generator | | (2S,4S,6R)-6-[(2S)-3-[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-1,2-dihydroxypropyl]-5-[(1,2-dihydroxyethylidene)amino]-2,4-dihydroxyoxane-2-carboxylate | Generator |
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| Chemical Formula | C20H31N4O17P |
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| Average Molecular Weight | 630.453 |
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| Monoisotopic Molecular Weight | 630.142182552 |
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| IUPAC Name | (2S,4S,6R)-6-[(2S)-3-[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-1,2-dihydroxypropyl]-5-[(1,2-dihydroxyethylidene)amino]-2,4-dihydroxyoxane-2-carboxylic acid |
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| Traditional Name | (2S,4S,6R)-6-[(2S)-3-({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-1,2-dihydroxypropyl]-5-[(1,2-dihydroxyethylidene)amino]-2,4-dihydroxyoxane-2-carboxylic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@](O)(COP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)[C@]1([H])O)C([H])(O)[C@]1([H])O[C@@](O)(C[C@]([H])(O)C1([H])N=C(O)CO)C(O)=O |
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| InChI Identifier | InChI=1S/C20H31N4O17P/c21-10-1-2-24(19(34)22-10)17-15(31)14(30)9(40-17)6-39-42(36,37)38-5-8(27)13(29)16-12(23-11(28)4-25)7(26)3-20(35,41-16)18(32)33/h1-2,7-9,12-17,25-27,29-31,35H,3-6H2,(H,23,28)(H,32,33)(H,36,37)(H2,21,22,34)/t7-,8-,9+,12?,13?,14+,15+,16+,17+,20-/m0/s1 |
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| InChI Key | AOOQVSNKZOZOHI-JICSJHSASA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as pyrimidine ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate group linked to the ribose moiety. |
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| Kingdom | Organic compounds |
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| Super Class | Nucleosides, nucleotides, and analogues |
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| Class | Pyrimidine nucleotides |
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| Sub Class | Pyrimidine ribonucleotides |
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| Direct Parent | Pyrimidine ribonucleoside monophosphates |
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| Alternative Parents | |
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| Substituents | - Pyrimidine ribonucleoside monophosphate
- Neuraminic acid
- Pentose-5-phosphate
- Pentose phosphate
- C-glucuronide
- N-glycosyl compound
- Glycosyl compound
- C-glycosyl compound
- Monosaccharide phosphate
- Hydroxypyrimidine
- Dialkyl phosphate
- Alkyl phosphate
- Pyrimidine
- Pyran
- Phosphoric acid ester
- Oxane
- Organic phosphoric acid derivative
- Monosaccharide
- Hydroxy acid
- Hydropyrimidine
- Alpha-hydroxy acid
- Heteroaromatic compound
- Tetrahydrofuran
- Secondary alcohol
- Hemiacetal
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Carboximidic acid derivative
- Carboximidic acid
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Alcohol
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic 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 | Solid |
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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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