(Q76725159)

English

[(2S)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-hydroxypropan-2-yl] (Z)-docos-13-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(7Z,10Z,13Z,16Z)-docosatetraenoyl-containing glycerolipid

1 reference

based on heuristic

inferred from SMILES

mass

726.6162257239998 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₇H₈₂O₅

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canonical SMILES

CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCC=CCCCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC

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Identifiers

InChI

InChI=1S/C47H82O5/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/h11,13,17-20,23,25,29,31,45,48H,3-10,12,14-16,21-22,24,26-28,30,32-44H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,31-29-/t45-/m0/s1

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InChIKey

GZHQOXVWBBPIJC-UAXRITQPSA-N

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PubChem CID

53478452

1 reference

matched by identifier from

InChIKey

GZHQOXVWBBPIJC-UAXRITQPSA-N

1 reference

Human Metabolome Database ID

HMDB0007696

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GZHQOXVWBBPIJC-UAXRITQPSA-N

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

GZHQOXVWBBPIJC-UAXRITQPSA-N

(Q76725159)

[(2S)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-hydroxypropan-2-yl] (Z)-docos-13-enoate

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