(Q76950990)

English

TG(20:1(11Z)/18:1(11Z)/18:3(9Z,12Z,15Z))

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

908.7832910479999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₅₉H₁₀₄O₆

0 references

canonical SMILES

CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCCCC=CCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

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Identifiers

InChI

InChI=1S/C59H104O6/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/h8,11,17,20-21,24-26,28,30,56H,4-7,9-10,12-16,18-19,22-23,27,29,31-55H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,30-26-/t56-/m1/s1

0 references

InChIKey

JWYOQVBFVZWMLF-XNENXHFMSA-N

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PubChem CID

131761231

1 reference

matched by identifier from

InChIKey

JWYOQVBFVZWMLF-XNENXHFMSA-N

ChEBI ID

171313

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C59H104O6/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/h8,11,17,20-21,24-26,28,30,56H,4-7,9-10,12-16,18-19,22-23,27,29,31-55H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,30-26-/t56-/m1/s1

1 reference

1 reference

Human Metabolome Database ID

HMDB0050483

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JWYOQVBFVZWMLF-XNENXHFMSA-N

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

JWYOQVBFVZWMLF-XNENXHFMSA-N

(Q76950990)

TG(20:1(11Z)/18:1(11Z)/18:3(9Z,12Z,15Z))

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