(Q76870529)

English

TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))

chemical compound

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instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

960.8145911759999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₆₃H₁₀₈O₆

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canonical SMILES

CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCC)COC(=O)CCCCCCCCCCCCCC=CCCCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

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Identifiers

InChI

InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,35,39,42,60H,4-7,9-10,12-14,16,19,21-23,28-31,33-34,36-38,40-41,43-59H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,35-32-,42-39-/t60-/m0/s1

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InChIKey

RAILQBRWZITIDV-BSECRXCFSA-N

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PubChem CID

131759193

1 reference

matched by identifier from

InChIKey

RAILQBRWZITIDV-BSECRXCFSA-N

ChEBI ID

172234

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-27,32,35,39,42,60H,4-7,9-10,12-14,16,19,21-23,28-31,33-34,36-38,40-41,43-59H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,27-25-,35-32-,42-39-/t60-/m0/s1

1 reference

Human Metabolome Database ID

HMDB0048352

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RAILQBRWZITIDV-BSECRXCFSA-N

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

RAILQBRWZITIDV-BSECRXCFSA-N

(Q76870529)

TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))

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