(Q120300395)

English

1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-docosanoyl-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

1-[(6Z,9Z,12Z,15Z)-octadec-6,9,12,15-tetraenoyl]-2-acylglycerolipid

1 reference

based on heuristic

inferred from SMILES

mass

982.7989411120001 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

TG(18:4(6Z,9Z,12Z,15Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

1 reference

based on heuristic

inferred from InChI

chemical formula

C₆₅H₁₀₆O₆

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COC(=O)CCCCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O

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Identifiers

InChI

InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,32,34,36,40,42-43,45,49,52,62H,4-6,8,11,13-15,17,20,22-24,26,29-31,33,35,37-39,41,44,46-48,50-51,53-61H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,45-42-,52-49-/t62-/m1/s1

1 reference

based on heuristic

inferred from SMILES

InChIKey

HZESXRBNKSATDY-PUAYTNOJSA-N

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

HZESXRBNKSATDY-PUAYTNOJSA-N

1 reference

0 references

2 references

inferred from InChIKey

reference URL

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

retrieved

5 July 2023

matched by identifier from

InChIKey

HZESXRBNKSATDY-PUAYTNOJSA-N

(Q120300395)

1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-docosanoyl-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol

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