(Q77411219)

English

1-a-Linolenoyl-2-linoleoyl-3-Stearyl-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

866.772726364 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₅₇H₁₀₂O₅

0 references

canonical SMILES

CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

0 references

Identifiers

InChI

InChI=1S/C57H102O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,55H,4-7,9-10,12-16,19,22-25,28,31-54H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-/t55-/m1/s1

0 references

InChIKey

DEOXWPGCLRDGFZ-MOXJRXQISA-N

0 references

PubChem CID

131765788

1 reference

matched by identifier from

InChIKey

DEOXWPGCLRDGFZ-MOXJRXQISA-N

1 reference

Human Metabolome Database ID

HMDB0055259

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DEOXWPGCLRDGFZ-MOXJRXQISA-N

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

DEOXWPGCLRDGFZ-MOXJRXQISA-N

(Q77411219)

1-a-Linolenoyl-2-linoleoyl-3-Stearyl-glycerol

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