| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:49:22 UTC |
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| Update Date | 2020-05-11 20:28:04 UTC |
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| BMDB ID | BMDB0001974 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Dihydroxycoprostanoic acid |
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| Description | (1S,2R,5R)-5-(6-amino-9H-purin-9-yl)cyclopent-3-ene-1,2-diol belongs to the class of organic compounds known as 1,3-substituted cyclopentyl purine nucleosides. These are nucleoside analogues with a structure that consists of a cyclobutane that is substituted a the 1-position with a hydroxyl group and at the 3-position with either a purine base (1S,2R,5R)-5-(6-amino-9H-purin-9-yl)cyclopent-3-ene-1,2-diol is a strong basic compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| Dihydroxycoprostanoate | Generator | | 5'-Norneplanocin a | MeSH | | 5'-DHCA | MeSH | | 9-(2',3'-Dihydroxycyclopent-4'-enyl)adenine | MeSH | | 9-(2',3'-Dihydroxycyclopent-4'-enyl)adenine, 1S-(1alpha,2alpha,5beta) isomer | MeSH | | 9-(2',trans-3'-Dihydroxycyclopent-4'-enyl)adenine | MeSH |
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| Chemical Formula | C10H11N5O2 |
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| Average Molecular Weight | 233.231 |
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| Monoisotopic Molecular Weight | 233.091274614 |
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| IUPAC Name | (1S,2R,5R)-5-(6-amino-9H-purin-9-yl)cyclopent-3-ene-1,2-diol |
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| Traditional Name | OHCA |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@]1(O)C=C[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]1([H])O |
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| InChI Identifier | InChI=1S/C10H11N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h1-6,8,16-17H,(H2,11,12,13)/t5-,6-,8+/m1/s1 |
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| InChI Key | RQPALADHFYHEHK-JKMUOGBPSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 1,3-substituted cyclopentyl purine nucleosides. These are nucleoside analogues with a structure that consists of a cyclobutane that is substituted a the 1-position with a hydroxyl group and at the 3-position with either a purine base. |
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| Kingdom | Organic compounds |
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| Super Class | Nucleosides, nucleotides, and analogues |
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| Class | Nucleoside and nucleotide analogues |
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| Sub Class | Cyclopentyl nucleosides |
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| Direct Parent | 1,3-substituted cyclopentyl purine nucleosides |
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| Alternative Parents | |
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| Substituents | - 1,3-substituted cyclopentyl purine nucleoside
- 6-aminopurine
- Imidazopyrimidine
- Purine
- Aminopyrimidine
- Imidolactam
- Pyrimidine
- N-substituted imidazole
- Azole
- Heteroaromatic compound
- Imidazole
- 1,2-diol
- Secondary alcohol
- Azacycle
- Organoheterocyclic compound
- Primary amine
- Organic oxygen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Organopnictogen compound
- Amine
- Alcohol
- Organonitrogen 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 | Not Available |
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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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