(Q76396997)

English

1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-3-(13Z,16Z-docosadienoyl)-sn-glycerol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

1-alpha-linolenoyl 2-acylglycerolipid

1 reference

based on heuristic

inferred from SMILES

mass

930.767640984 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₆₁H₁₀₂O₆

0 references

canonical SMILES

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

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC

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Identifiers

InChI

InChI=1S/C61H102O6/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/h8-9,11-12,16-21,25-28,32-33,58H,4-7,10,13-15,22-24,29-31,34-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-/t58-/m1/s1

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InChIKey

RZYVIJMOXIGQRX-NDSHOZHBSA-N

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PubChem CID

9545405

1 reference

matched by identifier from

InChIKey

RZYVIJMOXIGQRX-NDSHOZHBSA-N

1 reference

Human Metabolome Database ID

HMDB0054574

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RZYVIJMOXIGQRX-NDSHOZHBSA-N

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

30 June 2018

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

RZYVIJMOXIGQRX-NDSHOZHBSA-N

(Q76396997)

1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-3-(13Z,16Z-docosadienoyl)-sn-glycerol

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