(Q76957972)

English

1-g-Linolenoyl-2-stearoyl-3-docosadienoyl-glycerol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-gamma-linolenoyl 2-acylglycerolipid

1 reference

based on heuristic

inferred from SMILES

mass

936.8145911759999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₆₁H₁₀₈O₆

0 references

canonical SMILES

CCCCCC=CCC=CCC=CCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC

0 references

Identifiers

InChI

InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,32,38,41,58H,4-15,18,21-24,27,29-31,33-37,39-40,42-57H2,1-3H3/b19-16-,20-17-,28-25-,32-26-,41-38-/t58-/m0/s1

0 references

InChIKey

VNFJXKVPXXXRLS-IPSBFPOBSA-N

0 references

PubChem CID

131763542

1 reference

matched by identifier from

InChIKey

VNFJXKVPXXXRLS-IPSBFPOBSA-N

1 reference

Human Metabolome Database ID

HMDB0052891

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VNFJXKVPXXXRLS-IPSBFPOBSA-N

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

VNFJXKVPXXXRLS-IPSBFPOBSA-N

(Q76957972)

1-g-Linolenoyl-2-stearoyl-3-docosadienoyl-glycerol

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