| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:41:25 UTC |
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| Update Date | 2020-04-22 15:06:46 UTC |
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| BMDB ID | BMDB0001125 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Inositol cyclic phosphate |
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| Description | Inositol cyclic phosphate belongs to the class of organic compounds known as organic phosphoric acids and derivatives. These are organic compounds containing phosphoric acid or a derivative thereof. Inositol cyclic phosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| D-Myo-inositol 1,2-cyclic phosphate | ChEBI | | Myo-inositol 1,2-cyclic phosphate | ChEBI | | 1D-Myo-inositol 1,2-cyclic phosphate | Kegg | | D-Myo-inositol 1,2-cyclic phosphoric acid | Generator | | Myo-inositol 1,2-cyclic phosphoric acid | Generator | | 1D-Myo-inositol 1,2-cyclic phosphoric acid | Generator | | Inositol cyclic phosphoric acid | Generator | | Inositol 1,2-cyclic phosphate | HMDB | | Inositol cyclic-1,2-monophosphate | HMDB | | Inositol cyclic phosphate, (D)-isomer | HMDB | | Myoinositol 1,2-cyclic phosphate | HMDB | | Inositol cyclic phosphate | MeSH |
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| Chemical Formula | C6H11O8P |
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| Average Molecular Weight | 242.1205 |
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| Monoisotopic Molecular Weight | 242.01915384 |
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| IUPAC Name | (3aR,4R,5S,6S,7R,7aS)-2,4,5,6,7-pentahydroxy-hexahydro-2H-1,3,2λ⁵-benzodioxaphosphol-2-one |
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| Traditional Name | inositol 1,2-cyclic phosphate |
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| CAS Registry Number | 43119-57-9 |
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| SMILES | O[C@H]1[C@H]2OP(O)(=O)O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O |
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| InChI Identifier | InChI=1S/C6H11O8P/c7-1-2(8)4(10)6-5(3(1)9)13-15(11,12)14-6/h1-10H,(H,11,12)/t1-,2-,3+,4+,5-,6+/m0/s1 |
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| InChI Key | SXHMVNXROAUURW-FTYOSCRSSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as organic phosphoric acids and derivatives. These are organic compounds containing phosphoric acid or a derivative thereof. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Organic phosphoric acids and derivatives |
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| Sub Class | Not Available |
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| Direct Parent | Organic phosphoric acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Organic phosphoric acid derivative
- Cyclitol or derivatives
- 1,3_dioxaphospholane
- Cyclic alcohol
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic heteropolycyclic compounds |
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| External Descriptors | |
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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 | |
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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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