(Q76951536)

English

1-Eicosenoyl-2-a-linolenoyl-3-stearidonoyl-glycerol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-[(6Z,9Z,12Z,15Z)-octadec-6,9,12,15-tetraenoyl]-2-acylglycerolipid

1 reference

based on heuristic

inferred from SMILES

mass

902.736340856 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₅₉H₉₈O₆

0 references

canonical SMILES

CCC=CCC=CCC=CCC=CCCCCC(=O)OCC(COC(=O)CCCCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCC=CCC=CCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC

0 references

Identifiers

InChI

InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-28,30-31,36,39,56H,4-7,10,13-16,19,22-24,29,32-35,37-38,40-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1

0 references

InChIKey

PZKDPWXORMCMPH-CNHSECOKSA-N

0 references

PubChem CID

131761485

1 reference

matched by identifier from

InChIKey

PZKDPWXORMCMPH-CNHSECOKSA-N

1 reference

Human Metabolome Database ID

HMDB0050750

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PZKDPWXORMCMPH-CNHSECOKSA-N

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

PZKDPWXORMCMPH-CNHSECOKSA-N

(Q76951536)

1-Eicosenoyl-2-a-linolenoyl-3-stearidonoyl-glycerol

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