(Q105161574)

English

[(2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

chemical compound

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instance of

type of chemical entity

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subclass of

1-(octadeca-6,9,12,15-tetraenoyloxy)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl octadeca-6,9,12,15-tetraenoate

1 reference

based on heuristic

inferred from SMILES

mass

770.49689844 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Heterosigma-glycolipid I

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₅H₇₀O₁₀

0 references

canonical SMILES

O=C(OCC(OC(=O)CCCCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCC=CCC=CCC=CCC=CCC

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isomeric SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC

0 references

found in taxon

Heterosigma akashiwo

1 reference

stated in

Marine Natural Products. XXIX. Heterosigma-glycolipids I, II, III, and IV, Four Diacylglyceroglycolipids Possessing .OMEGA.3-Polyunsaturated Fatty Acid Residues, from the Raphidophycean Dinoflagellate Heterosigma akashiwo.

Identifiers

InChI

InChI=1S/C45H70O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t38-,39 ,42-,43-,44 ,45 /m0/s1

0 references

InChIKey

MDAUFUALHVJQPD-ZPMBBQANSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MDAUFUALHVJQPD-ZPMBBQANSA-N

(Q105161574)

[(2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

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