(Q76931353)

English

1-Lignoceroyl-2-homo-g-linolenoyl-3-docosapentaenoyl-glycerol

chemical compound

In more languages

Statements

type of chemical entity

0 references

1-stearoyl 2-acylglycerolipid

1 reference

based on heuristic

inferred from SMILES

1,042.892841496 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₆₉H₁₁₈O₆

0 references

canonical SMILES

CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC=CCC=CCC=CCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC

0 references

Identifiers

InChI=1S/C69H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,35,38,42-43,45-46,66H,4-7,9-10,12-16,19,22-25,28,31-34,36-37,39-41,44,47-65H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,38-35-,45-42-,46-43-/t66-/m1/s1

1 reference

based on heuristic

inferred from SMILES

ZEFZMWQKVIGWJM-UVUQHPNJSA-N

0 references

1 reference

matched by identifier from

ZEFZMWQKVIGWJM-UVUQHPNJSA-N

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

ZEFZMWQKVIGWJM-UVUQHPNJSA-N

2 references

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

6 November 2021

matched by identifier from

ZEFZMWQKVIGWJM-UVUQHPNJSA-N

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