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Concept information

Preferred term

1-hexadecanoyl-2-(9z,12z-octadecadienoyl)-sn-glycero-3-phospho-d-myo-inositol  

Type

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

charge

  • 0

formula

  • C43H79O13P

inchi

  • InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52)/b13-11-,18-17-/t35-,38-,39-,40+,41-,42-,43-/m1/s1

inchikey

  • BSNJSZUDOMPYIR-CUKLWHKZSA-N

mass

  • 835.05330

monoisotopicmass

  • 834.52583

smiles

  • CCCCCCCCCCCCCCCC(=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)CCCCCCC/C=C/C/C=C/CCCCC

subset

  • 3_STAR

synonym EXACT

  • (2R)-3-(hexadecanoyloxy)-1-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:73212

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