(Q105252753)

English

[(2S)-2-hexadeca-6,9,12-trienoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] icosa-5,8,11,14,17-pentaenoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[2-Hexadeca-6,9,12-trienoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] icosa-5,8,11,14,17-pentaenoate

1 reference

based on heuristic

inferred from SMILES

770.49689844 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-1-O-(beta-D-Galactopyranosyl)-2-O-[(6Z,9Z,12Z)-1-oxo-6,9,12-hexadecatrienyl]-3-O-[(5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-icosapentaenyl]glycerin

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₅H₇₀O₁₀

0 references

canonical SMILES

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

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isomeric SMILES

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC=CCC=CCC=CCCC

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Phaeodactylum tricornutum

1 reference

Apoptosis-inducing galactolipids from a cultured marine diatom, Phaeodactylum tricornutum

Identifiers

InChI=1S/C45H70O10/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7-8,10-11,13-14,16-18,20,22,24-27,38-39,42-46,49-51H,3-4,6,9,12,15,19,21,23,28-37H2,1-2H3/t38-,39-,42+,43+,44-,45-/m1/s1

0 references

SHAALCCXWADAJS-CVELTQQQSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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