(Q76949736)

English

1-Oleoyl-2-eicosenoyl-3-stearidonoyl-glycerol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-oleoyl-2-acylglycerolipid

1 reference

based on heuristic

inferred from SMILES

1-[(6Z,9Z,12Z,15Z)-octadec-6,9,12,15-tetraenoyl]-2-acylglycerolipid

1 reference

based on heuristic

inferred from SMILES

mass

906.767640984 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₅₉H₁₀₂O₆

0 references

canonical SMILES

CCC=CCC=CCC=CCC=CCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCCCC=CCCCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC

0 references

Identifiers

InChI

InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17,20,25-28,30-31,36,39,56H,4-7,9-10,12-16,18-19,21-24,29,32-35,37-38,40-55H2,1-3H3/b11-8-,20-17-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1

0 references

InChIKey

RODWDVUWRKVYSP-FWGXGOSYSA-N

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PubChem CID

131760697

1 reference

matched by identifier from

InChIKey

RODWDVUWRKVYSP-FWGXGOSYSA-N

1 reference

Human Metabolome Database ID

HMDB0049935

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RODWDVUWRKVYSP-FWGXGOSYSA-N

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

RODWDVUWRKVYSP-FWGXGOSYSA-N

(Q76949736)

1-Oleoyl-2-eicosenoyl-3-stearidonoyl-glycerol

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