(Q76958951)

English

TG(20:2n6/14:0/22:4(7Z,10Z,13Z,16Z))

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(7Z,10Z,13Z,16Z)-docosatetraenoyl-containing glycerolipid

1 reference

based on heuristic

inferred from SMILES

mass

906.7676409840001 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₅₉H₁₀₂O₆

0 references

canonical SMILES

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

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC

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Identifiers

InChI

InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31,35,38,56H,4-15,18,21-23,28,30,32-34,36-37,39-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,38-35-/t56-/m0/s1

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InChIKey

JTQRKGBUUFOOLE-VHKDZXLCSA-N

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PubChem CID

131763918

1 reference

matched by identifier from

InChIKey

JTQRKGBUUFOOLE-VHKDZXLCSA-N

ChEBI ID

170389

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31,35,38,56H,4-15,18,21-23,28,30,32-34,36-37,39-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,38-35-/t56-/m0/s1

1 reference

Human Metabolome Database ID

HMDB0053268

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JTQRKGBUUFOOLE-VHKDZXLCSA-N

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

JTQRKGBUUFOOLE-VHKDZXLCSA-N

(Q76958951)

TG(20:2n6/14:0/22:4(7Z,10Z,13Z,16Z))

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