(Q77411318)

English

1-a-Linolenoyl-2-osbondoyl-3-docosapentaenoyl-glycerol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-alpha-linolenoyl 2-acylglycerolipid

1 reference

based on heuristic

inferred from SMILES

mass

976.7519909199999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₆₅H₁₀₀O₆

0 references

canonical SMILES

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

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

0 references

Identifiers

InChI

InChI=1S/C65H100O6/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/h7,9-10,12,16-21,25-29,32-36,40-41,43-44,50,53,62H,4-6,8,11,13-15,22-24,30-31,37-39,42,45-49,51-52,54-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-,44-41-,53-50-/t62-/m0/s1

1 reference

based on heuristic

inferred from SMILES

InChIKey

XWQYOJPOKGTBNZ-RBJJIACISA-N

0 references

PubChem CID

131765830

1 reference

matched by identifier from

InChIKey

XWQYOJPOKGTBNZ-RBJJIACISA-N

1 reference

Human Metabolome Database ID

HMDB0055306

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XWQYOJPOKGTBNZ-RBJJIACISA-N

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

XWQYOJPOKGTBNZ-RBJJIACISA-N

(Q77411318)

1-a-Linolenoyl-2-osbondoyl-3-docosapentaenoyl-glycerol

Statements

Identifiers

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