(Q105273041)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

780.57514876 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₅H₈₀O₁₀

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Arisaema amurense

1 reference

stated in

Diacylglycerylgalactosides from Arisaema amurense

Identifiers

InChI

InChI=1S/C45H80O10/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/h6,8,12,14,18,20,38-39,42-46,49-51H,3-5,7,9-11,13,15-17,19,21-37H2,1-2H3/b8-6-,14-12-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1

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InChIKey

UHPLILYACSUFNX-USBUWKSFSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

2 references

https://www.swisslipids.org/#/downloads

retrieved

6 November 2021

matched by identifier from

InChIKey

UHPLILYACSUFNX-USBUWKSFSA-N

(Q105273041)

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

Statements

Identifiers

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