(Q76949228)

English

1-Vaccenoyl-2-docosapentaenoyl-3-eicosadienoyl-glycerol

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

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958.798941112 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₆₃H₁₀₆O₆

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canonical SMILES

CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)OC(COC(=O)CCCCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCC=CCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

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Identifiers

InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,31,33,39,42,60H,4-6,8-9,11-15,18,22-23,27,30,32,34-38,40-41,43-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,33-31-,42-39-/t60-/m0/s1

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ICXGNYXLZAKZKP-FFEAFRBDSA-N

0 references

1 reference

matched by identifier from

ICXGNYXLZAKZKP-FFEAFRBDSA-N

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

ICXGNYXLZAKZKP-FFEAFRBDSA-N

2 references

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

6 November 2021

matched by identifier from

ICXGNYXLZAKZKP-FFEAFRBDSA-N

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