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Concept information

Preferred term

1,2-dihexadecanoyl-sn-glycero-3-phospho-(1d-myo-inositol-3,4-bisphosphate)  

Type

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

charge

  • 0

formula

  • C41H81O19P3

has_functional_parent

inchi

  • InChI=1S/C41H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h33,36-41,44-46H,3-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/t33-,36-,37-,38+,39+,40+,41+/m1/s1

inchikey

  • HKWJHKSHEWVOSS-OMDJCSNQSA-N

mass

  • 970.99170

monoisotopicmass

  • 970.45849

smiles

  • CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC

subset

  • 3_STAR

synonym EXACT

  • (2R)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dihexadecanoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:84247

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