(Q82600013)

English

Sodium (2R)-3-(hexadecanoyloxy)-2-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}propyl (3R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate

group of stereoisomers with the chemical formula C₄₃H₇₈NaO₁₃P

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

856.5077734660002 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₃H₇₈NaO₁₃P

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based on heuristic

inferred from SMILES

canonical SMILES

CCCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OC1C(O)C(O)C(O)C(O)C1O.[Na+]

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OC1C(O)C(O)C(O)[C@@H](O)C1O.[Na+]

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C43H79O13P.Na/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);/q;+1/p-1/b13-11-,18-17-;/t35-,38?,39-,40?,41?,42?,43?;/m1./s1

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InChIKey

DCDQYHYLAGWAPO-QXMRYZQYSA-M

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26 December 2021

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DSSTOX compound identifier

DTXCID20627834

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(Q82600013)

Sodium (2R)-3-(hexadecanoyloxy)-2-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}propyl (3R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate

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