Summary

IMPPAT Phytochemical identifier: IMPHY008652

Phytochemical name: L-alpha-lysophosphatidylinositol

Synonymous chemical names:
lysophosphatidylinositol

External chemical identifiers:
CID:73755067

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Chemical structure information

SMILES:
O[C@@H](COC(=O)C)COP(=O)(OC1[C@H](O)[C@H](O)C([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

InChIKey:
FBDBXJJQMHPGMP-FNFFQOHASA-N

DeepSMILES:
O[C@@H]COC=O)C))))COP=O)OC[C@H]O)[C@H]O)C[C@@H][C@H]6O))O))O))))))O

Functional groups:
CO, COC(C)=O, COP(=O)(O)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Glycerophospholipids

ClassyFire Subclass: Glycerophosphoinositols

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Polyols

NP Classifier Class: Cyclitols

NP-Likeness score: 1.657

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Chemical structure download