(Q76725369)

English

[(2S)-1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hydroxypropan-2-yl] tetracosanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-containing glycerolipid

1 reference

based on heuristic

inferred from SMILES

mass

752.6318757879998 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₉H₈₄O₅

0 references

canonical SMILES

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

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Identifiers

InChI

InChI=1S/C49H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,37,39,47,50H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-36,38,40-46H2,1-2H3/b8-6-,14-12-,20-18-,27-25-,33-31-,39-37-/t47-/m0/s1

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InChIKey

USMCKRJMEPOWJN-QTYQGYBXSA-N

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PubChem CID

53478539

1 reference

matched by identifier from

InChIKey

USMCKRJMEPOWJN-QTYQGYBXSA-N

1 reference

Human Metabolome Database ID

HMDB0007789

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

USMCKRJMEPOWJN-QTYQGYBXSA-N

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

USMCKRJMEPOWJN-QTYQGYBXSA-N

(Q76725369)

[(2S)-1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hydroxypropan-2-yl] tetracosanoate

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Identifiers

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