(Q76950774)

English

1-Eicosenoyl-2-behenoyl-3-erucoyl-glycerol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-acyl-2-palmitoylglycerolipid

1 reference

based on heuristic

inferred from SMILES

mass

1,026.9554417519998 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

1-(11Z-eicosenoyl)-2-docosanoyl-3-(13Z-docosenoyl)-sn-glycerol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₆₇H₁₂₆O₆

0 references

canonical SMILES

CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC

0 references

Identifiers

InChI

InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,64H,4-24,26,29,31-63H2,1-3H3/b28-25-,30-27-/t64-/m0/s1

0 references

InChIKey

GKVLIVOSFOZBGX-OXDZHLAISA-N

0 references

PubChem CID

131761145

1 reference

matched by identifier from

InChIKey

GKVLIVOSFOZBGX-OXDZHLAISA-N

1 reference

1 reference

Human Metabolome Database ID

HMDB0050397

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GKVLIVOSFOZBGX-OXDZHLAISA-N

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

GKVLIVOSFOZBGX-OXDZHLAISA-N

(Q76950774)

1-Eicosenoyl-2-behenoyl-3-erucoyl-glycerol

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