1D-myo-Inositol 3,4-bisphosphate
Basic information
- CAS
69256-53-7- Standard SMILES
O=P(O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1OP(=O)(O)O- InChIKey
MCKAJXMRULSUKI-CNWJWELYSA-N- Molecular formula
- C6H14O12P2
- Average molar mass
- 340.12 g/mol
- Monoisotopic mass
- 339.99604987
Overview
1D-myo-inositol 3,4-bisphosphate is a myo-inositol bisphosphate. It has a role as a mouse metabolite and a human metabolite. It is a conjugate acid of a 1D-myo-inositol 3,4-biphosphate(4-).
Names & identifiers
- Preferred name
- 1D-myo-Inositol 3,4-bisphosphate
- IUPAC
- [(1S,2S,3S,4S,5R,6S)-2,3,4,5-tetrahydroxy-6-phosphonooxycyclohexyl] dihydrogen phosphate
Names & synonyms
D-myo-Inositol 3,4-bisphosphate1D-myo-Inositol 3,4-bisphosphate69256-53-7SCHEMBL2044892CHEBI:28858D-myo-Inositol 3,4-diphosphateDTXSID1013057191D-myo-inositol 3,4-bis(dihydrogen phosphate)1L-myo-inositol 1,6-bis(dihydrogen phosphate)C04063Q27103929(1S,2S,3R,4S,5S,6S)-3,4,5,6-Tetrahydroxycyclohexane-1,2-diyl bis(dihydrogen phosphate)
Show more names
(1S,2S,3R,4S,5S,6S)-3,4,5,6-Tetrahydroxycyclohexane-1,2-diyl bis[dihydrogen (phosphate)]{[(1S,2S,3S,4S,5R,6S)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Database identifiers
- CAS
69256-53-7- PubChem CID
- 440211
- DTXSID
DTXSID101305719- ChEBI
CHEBI:28858- Nikkaji
- J709.339J
Properties
Computed structural properties
- XLogP
- -5.9
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 388
Experimental & physicochemical properties
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Metabolite PathwaysInositol phosphate metabolism
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Related reactions
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Compound notes
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