lysophosphatidylinositol   Click here for help

GtoPdb Ligand ID: 4028

Synonyms: L-α-lysophosphatidylinositol | LPI
Comment: The structure shown is representative of the lysophosphatidylinositol group of compounds. The carbon chain attached to the acyl group (shown here as CH3) can be of varying length.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 12
Hydrogen bond donors 7
Rotatable bonds 8
Topological polar surface area 213.25
Molecular weight 376.08
XLogP -3.67
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES OC(COC(=O)C)COP(=O)(OC1C(O)C(O)C(C(C1O)O)O)O
Isomeric SMILES O[C@@H](COC(=O)C)COP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O)O
InChI InChI=1S/C11H21O12P/c1-4(12)21-2-5(13)3-22-24(19,20)23-11-9(17)7(15)6(14)8(16)10(11)18/h5-11,13-18H,2-3H2,1H3,(H,19,20)/t5-,6-,7-,8+,9+,10+,11-/m0/s1
InChI Key FBDBXJJQMHPGMP-IFUOQLDVSA-N
Classification Click here for help
Compound class Metabolite or derivative
Synonyms Click here for help
L-α-lysophosphatidylinositol | LPI
Database Links Click here for help
ChEBI CHEBI:64931
GtoPdb PubChem SID 178100854
PubChem CID 73755067
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