(Q76950866)

English

1-Eicosenoyl-2-lignoceroyl-3-docosapentaenoyl-glycerol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

1-acyl-2-palmitoylglycerolipid

1 reference

based on heuristic

inferred from SMILES

mass

1,046.924141624 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₆₉H₁₂₂O₆

0 references

canonical SMILES

CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

0 references

Identifiers

InChI

InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,38,44,47,66H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-37,39-43,45-46,48-65H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,38-35-,47-44-/t66-/m0/s1

0 references

InChIKey

UHOYRSYMYMMSAL-PEHKQNGUSA-N

0 references

PubChem CID

131761178

1 reference

matched by identifier from

InChIKey

UHOYRSYMYMMSAL-PEHKQNGUSA-N

1 reference

Human Metabolome Database ID

HMDB0050430

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

UHOYRSYMYMMSAL-PEHKQNGUSA-N

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

UHOYRSYMYMMSAL-PEHKQNGUSA-N

(Q76950866)

1-Eicosenoyl-2-lignoceroyl-3-docosapentaenoyl-glycerol

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