(Q76948385)

English

[(2R)-2-[(Z)-octadec-11-enoyl]oxy-3-octadecoxypropyl] (Z)-octadec-11-enoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

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872.819676556 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₅₇H₁₀₈O₅

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canonical SMILES

CCCCCCC=CCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC=CCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC

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Identifiers

InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-24,55H,4-19,22,25-54H2,1-3H3/b23-20-,24-21-/t55-/m1/s1

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CLCQSBVFBLSNEE-HMVBVNKWSA-N

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1 reference

matched by identifier from

CLCQSBVFBLSNEE-HMVBVNKWSA-N

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

CLCQSBVFBLSNEE-HMVBVNKWSA-N

2 references

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

6 November 2021

matched by identifier from

CLCQSBVFBLSNEE-HMVBVNKWSA-N

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