(Q76948554)

English

1-Vaccenoyl-2-erucoyl-3-eicosenoyl-glycerol

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

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968.877191432 dalton

2 references

based on heuristic

inferred from SMILES

based on heuristic

inferred from isomeric SMILES

chemical formula

C₆₃H₁₁₆O₆

0 references

canonical SMILES

CCCCCCC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCCCCCC=CCCCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC

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Identifiers

InChI=1S/C63H116O6/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/h21,24-26,28-29,60H,4-20,22-23,27,30-59H2,1-3H3/b24-21-,28-25-,29-26-/t60-/m0/s1

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NMJIAWZBGZFPMZ-UBYAYVOWSA-N

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1 reference

matched by identifier from

NMJIAWZBGZFPMZ-UBYAYVOWSA-N

UniChem compound ID

1 reference

Cannabis Database ID

1 reference

Cannabis Database

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

NMJIAWZBGZFPMZ-UBYAYVOWSA-N

2 references

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

6 November 2021

matched by identifier from

NMJIAWZBGZFPMZ-UBYAYVOWSA-N

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