(Q76947826)

English

1-Palmitoleoyl-2-docosahexaenoyl-3-docosapentaenoyl-glycerol

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

950.736340856 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₆₃H₉₈O₆

0 references

canonical SMILES

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

0 references

Identifiers

InChI

InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-34,38-39,41-42,48,51,60H,4-6,9,12-15,18,22-23,29-30,35-37,40,43-47,49-50,52-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,51-48-/t60-/m0/s1

1 reference

based on heuristic

inferred from SMILES

InChIKey

ALWDNQVQKSLBDL-ZVRNFYTRSA-N

0 references

PubChem CID

131759860

1 reference

matched by identifier from

InChIKey

ALWDNQVQKSLBDL-ZVRNFYTRSA-N

1 reference

Human Metabolome Database ID

HMDB0049048

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ALWDNQVQKSLBDL-ZVRNFYTRSA-N

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

ALWDNQVQKSLBDL-ZVRNFYTRSA-N

(Q76947826)

1-Palmitoleoyl-2-docosahexaenoyl-3-docosapentaenoyl-glycerol

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