(Q63333349)

English

PI(20:5(5Z,8Z,11Z,14Z,17Z)/18:0)

group of stereoisomers with the chemical formula C₄₇H₈₁O₁₃P

1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-octadecanoyl-glycero-3-phospho-(1'- myo-inositol)

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instance of

group of stereoisomers

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subclass of

diacylglycerophosphoinositols

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lipid

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mass

884.5414792819998 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₇H₈₁O₁₃P

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canonical SMILES

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

[C@]([H])(OC(CCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O

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Identifiers

InChI

InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,27,29,39,42-47,50-54H,3-4,6,8-10,12,14-16,18,20-21,24-26,28,30-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,19-17-,23-22-,29-27-/t39-,42?,43-,44?,45?,46?,47-/m1/s1

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InChIKey

BVANPAAYQSMPMX-NSROSAODSA-N

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LIPID MAPS ID

LMGP06010628

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(Q63333349)

PI(20:5(5Z,8Z,11Z,14Z,17Z)/18:0)

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