(Q76725468)

English

[(2S)-3-hydroxy-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropyl] (Z)-tetracos-15-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

726.6162257239998 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₇H₈₂O₅

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canonical SMILES

CCC=CCC=CCC=CCC=CCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCC=CCCCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC

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Identifiers

InChI

InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,28,30,45,48H,3-5,7,9-11,13,15-16,21-27,29,31-44H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,30-28-/t45-/m0/s1

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InChIKey

TWENFEVATBOSTQ-OPXLJXSKSA-N

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PubChem CID

53478588

1 reference

matched by identifier from

InChIKey

TWENFEVATBOSTQ-OPXLJXSKSA-N

1 reference

Human Metabolome Database ID

HMDB0007838

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

TWENFEVATBOSTQ-OPXLJXSKSA-N

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

TWENFEVATBOSTQ-OPXLJXSKSA-N

(Q76725468)

[(2S)-3-hydroxy-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropyl] (Z)-tetracos-15-enoate

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