(Q106038789)

English

5(S)6-epoxy-18(S)-HEPE

chemical compound

4-{(2S,3R)-3-[(1E,3E,5Z,8Z,10E,12S)-12-hydroxytetradeca-1,3,5,8,10-pentaen-1-yl]oxiran-2-yl}butanoic acid

In more languages

Statements

type of chemical entity

0 references

chemical compound

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332.19875937599994 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid

1 reference

based on heuristic

inferred from InChIKey

5(S),6(S)-epoxy-18(R)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid

1 reference

based on heuristic

inferred from InChI

5(S),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₄

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC(O)C=CC=CCC=CC=CC=CC1OC1CCCC(=O)O

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isomeric SMILES

C(CCC[C@@H]1O[C@@H]1/C=C/C=C/C=C\C/C=C\C=C\[C@@H](O)CC)(=O)O

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subject has role

primary metabolite

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

Identifiers

InChI=1S/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3-,8-6-,9-7+,13-10+,14-11+/t17-,18+,19-/m0/s1

1 reference

ChEBI release 2021-03-01

ZPAJZAMPZXISSE-RXTGXWMYSA-N

1 reference

ChEBI release 2021-03-01

2 references

ChEBI release 2021-03-01

matched by identifier from

ZPAJZAMPZXISSE-RXTGXWMYSA-N

mapping relation type

2 references

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3-,8-6-,9-7+,13-10+,14-11+/t17-,18+,19-/m0/s1

UniChem compound ID

1 reference

1 reference

ZPAJZAMPZXISSE-RXTGXWMYSA-N

17 April 2021

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

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