(Q63410070)

English

1-(6Z,9Z,12Z-octadecatrienoyl)-2-(11Z,14Z-eicosadienoyl)-glycero-3-phospho-(1'-myo-inositol)

chemical compound

PI(18:3(6Z,9Z,12Z)/20:2(11Z,14Z))

In more languages

Statements

group of stereoisomers

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diacylglycerophosphoinositols

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884.541479282 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₇H₈₁O₁₃P

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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)CCCCCCCCCC=CCC=CCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

[C@]([H])(OC(CCCCCCCCC/C=C\C/C=C\CCCCC)=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=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,25,27,39,42-47,50-54H,3-10,15-16,20,22-24,26,28-38H2,1-2H3,(H,55,56)/b13-11-,14-12-,19-17-,21-18-,27-25-/t39-,42?,43-,44?,45?,46?,47-/m1/s1

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BWTYDNNRTRUOCF-FIJOMQADSA-N

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