1,4,-IP₂ - Moligand™ , CAS No.47055-78-7

CAS: 47055-78-7 Cat. No.: I607066 PubChem CID: 25203530

GRADE & PURITY Moligand™

Synonyms

1D-myo-inositol 1,4-bisphosphate | inositol 1,4-bis(phosphate)

Storage

Room temperature

Specifications

Synonyms

1D-myo-inositol 1, 4-bisphosphate | inositol 1, 4-bis(phosphate)

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: O[C@@H]1C(OP(=O)([O-])[O-])[C@H](O)[C@H](C([C@@H]1O)OP(=O)([O-])[O-])O
• IUPAC Name: [(2R,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-phosphonatooxycyclohexyl] phosphate
• InChIKey: PELZSPZCXGTUMR-MBEOBJKWSA-J
• INCHI: 1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-4/t1-,2-,3-,4+,5?,6?/m1/s1
• Isomeric SMILES: [C@H]1([C@H](C([C@H]([C@H](C1OP(=O)([O-])[O-])O)O)OP(=O)([O-])[O-])O)O
• PubChem CID: 25203530

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Cyclic alcohols and derivatives
          • Level6 Cyclitols and derivatives
            • Level7 Inositol phosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Cyclic alcohols and derivatives - Cyclitols and derivatives
• Direct Parent: Inositol phosphates
• Alternative Parents: Cyclohexanols Alkyl phosphates Polyols Organic oxides Hydrocarbon derivatives Organic anions
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Inositol phosphate - Cyclohexanol - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Secondary alcohol - Polyol - Organic oxide - Hydrocarbon derivative - Organic anion - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y