(Q76950994)

English

1-Eicosenoyl-2-vaccenoyl-3-eicsoatetraenoyl-glycerol

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

934.798941112 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₆₁H₁₀₆O₆

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canonical SMILES

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

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCCCC/C=C\CCCCCC

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Identifiers

InChI

InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33,35,58H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,34,36-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,35-33-/t58-/m1/s1

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InChIKey

AGJKEOLEAMPFRL-YNZZMIMLSA-N

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PubChem CID

131761233

1 reference

matched by identifier from

InChIKey

AGJKEOLEAMPFRL-YNZZMIMLSA-N

1 reference

Human Metabolome Database ID

HMDB0050485

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

AGJKEOLEAMPFRL-YNZZMIMLSA-N

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

AGJKEOLEAMPFRL-YNZZMIMLSA-N

(Q76950994)

1-Eicosenoyl-2-vaccenoyl-3-eicsoatetraenoyl-glycerol

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