(Q63410421)

English

1-(6Z,9Z,12Z-octadecatrienoyl)-2-(9Z-nonadecenoyl)-glycero-3-phospho-(1'-myo-inositol)

chemical compound

PI(18:3(6Z,9Z,12Z)/19:1(9Z))

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Statements

instance of

group of stereoisomers

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subclass of

diacylglycerophosphoinositols

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lipid

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mass

872.5414792819998 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₆H₈₁O₁₃P

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canonical SMILES

CCCCCC=CCC=CCC=CCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCC=CCCCCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

[C@]([H])(OC(CCCCCCC/C=C\CCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O

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Identifiers

InChI

InChI=1S/C46H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(48)58-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)36-56-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18-21,24,26,38,41-46,49-53H,3-11,13,15-17,22-23,25,27-37H2,1-2H3,(H,54,55)/b14-12-,20-18-,21-19-,26-24-/t38-,41?,42-,43?,44?,45?,46-/m1/s1

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InChIKey

HZTBSGFKDUXWKT-BPCICKNLSA-N

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1 reference

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(Q63410421)

1-(6Z,9Z,12Z-octadecatrienoyl)-2-(9Z-nonadecenoyl)-glycero-3-phospho-(1'-myo-inositol)

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