(Q76394458)

English

[(2S)-2-[(Z)-docos-13-enoyl]oxy-3-hydroxypropyl] docosanoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

diglyceride

0 references

mass

734.6788259799998 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₇H₉₀O₅

0 references

canonical SMILES

CCCCCCCCC=CCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

0 references

Identifiers

InChI

InChI=1S/C47H90O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,45,48H,3-17,19,21-44H2,1-2H3/b20-18-/t45-/m0/s1

0 references

InChIKey

NKSDJABUVNERTD-YNNWIYJUSA-N

0 references

PubChem CID

9543930

1 reference

matched by identifier from

InChIKey

NKSDJABUVNERTD-YNNWIYJUSA-N

1 reference

Human Metabolome Database ID

HMDB0007609

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NKSDJABUVNERTD-YNNWIYJUSA-N

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

30 June 2018

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

NKSDJABUVNERTD-YNNWIYJUSA-N

(Q76394458)

[(2S)-2-[(Z)-docos-13-enoyl]oxy-3-hydroxypropyl] docosanoate

Statements

Identifiers

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