inositol 1-phosphate   

GtoPdb Ligand ID: 5203

Synonyms: 1D-myo-inositol 1-phosphate
Comment: One of the myo-inositol monophosphates
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 7
Rotatable bonds 2
Topological polar surface area 177.72
Molecular weight 260.03
XLogP -3.54
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES OC1C(OP(=O)(O)O)C(O)C(C(C1O)O)O
Isomeric SMILES O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O
InChI InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m1/s1
InChI Key INAPMGSXUVUWAF-UOTPTPDRSA-N
Classification
Compound class Metabolite or derivative
Synonyms
1D-myo-inositol 1-phosphate
Database Links
CAS Registry No. 15421-51-9
ChEBI CHEBI:18297
GtoPdb PubChem SID 178101889
PubChem CID 107737
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