(Q76395020)

English

[(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-icosanoyloxypropyl] icosanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-stearoyl 2-acylglycerolipid

1 reference

based on heuristic

inferred from SMILES

mass

916.8458913039999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₅₉H₁₁₂O₆

0 references

canonical SMILES

CCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC

0 references

Identifiers

InChI

InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,56H,4-20,22-23,25-55H2,1-3H3/b24-21-/t56-/m1/s1

0 references

InChIKey

KJVYOEKCDNOOAP-SZPKOVDMSA-N

0 references

PubChem CID

9544341

1 reference

matched by identifier from

InChIKey

KJVYOEKCDNOOAP-SZPKOVDMSA-N

1 reference

Human Metabolome Database ID

HMDB0045585

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KJVYOEKCDNOOAP-SZPKOVDMSA-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

KJVYOEKCDNOOAP-SZPKOVDMSA-N

(Q76395020)

[(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-icosanoyloxypropyl] icosanoate

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