(Q76394492)

English

[(2S)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-hydroxypropyl] docosanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

diglyceride

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mass

728.6318757879998 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₇H₈₄O₅

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canonical SMILES

CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC

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Identifiers

InChI

InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,30,32,45,48H,3-11,13,15-17,19,21-23,25,27-29,31,33-44H2,1-2H3/b14-12-,20-18-,26-24-,32-30-/t45-/m0/s1

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InChIKey

OAAPMPLRQWJXII-FWNLWRKOSA-N

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PubChem CID

9543949

1 reference

matched by identifier from

InChIKey

OAAPMPLRQWJXII-FWNLWRKOSA-N

1 reference

Human Metabolome Database ID

HMDB0007611

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OAAPMPLRQWJXII-FWNLWRKOSA-N

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

30 June 2018

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

OAAPMPLRQWJXII-FWNLWRKOSA-N

(Q76394492)

[(2S)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-hydroxypropyl] docosanoate

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