(Q105034009)

English

(9Z,12Z,15Z)-(S)-2-Hydroxy-3-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propyl octadeca-9,12,15-trienoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[2-Hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] octadeca-9,12,15-trienoate

1 reference

based on heuristic

inferred from SMILES

mass

514.314183052 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R)-2-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12E,15E)-octadeca-9,12,15-trienoate

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₇H₄₆O₉

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canonical SMILES

O=C(OCC(O)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCC=CCC=CCC

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isomeric SMILES

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

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found in taxon

Capsicum annuum

1 reference

stated in

New Constituents of SweetCapsicum annuumL. Fruits and Evaluation of Their Biological Activity

Clinacanthus nutans

1 reference

stated in

Cerebrosides and a monoacylmonogalactosylglycerol from Clinacanthus nutans

Guapira graciliflora

1 reference

stated in

Oleanane Saponins and Glycerogalactolipids from the Leaves of Guapira graciliflora

Isatis tinctoria

1 reference

stated in

A comprehensive metabolite profiling of Isatis tinctoria leaf extracts

Sonchus arvensis

1 reference

stated in

A monoacyl galactosylglycerol from sonchus arvensis

Sonchus mauritanicus

1 reference

stated in

A monoacyl galactosylglycerol from sonchus arvensis

Identifiers

InChI

InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1

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InChIKey

HUSISCNTLUEZCN-DTYSIQRPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HUSISCNTLUEZCN-DTYSIQRPSA-N

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

31 December 2022

InChIKey

HUSISCNTLUEZCN-DTYSIQRPSA-N

based on heuristic

InChIKey match

(Q105034009)

(9Z,12Z,15Z)-(S)-2-Hydroxy-3-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propyl octadeca-9,12,15-trienoate

Statements

Identifiers

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