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Concept information

Preferred term

1,2-dibutyryl-sn-glycero-3-phospho-(1'd-myo-inositol)  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C17H31O13P

has_functional_parent

inchi

  • InChI=1S/C17H31O13P/c1-3-5-10(18)27-7-9(29-11(19)6-4-2)8-28-31(25,26)30-17-15(23)13(21)12(20)14(22)16(17)24/h9,12-17,20-24H,3-8H2,1-2H3,(H,25,26)/t9-,12-,13-,14+,15-,16-,17-/m1/s1

inchikey

  • SFURGELIJOUFHC-XXEWDYRMSA-N

mass

  • 474.39400

monoisotopicmass

  • 474.15023

smiles

  • CCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC

subset

  • 3_STAR

synonym EXACT

  • (2R)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dibutanoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:83240

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