(Q60998640)

English

(4Z,7Z,10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosahexaenoic acid

chemical compound

PDX
10(S),17(S)-dihydroxydocosa-4Z,7Z,11E,13Z,15E,19Z-hexaenoic acid

In more languages

Statements

type of chemical entity

0 references

chemical compound

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360.23005950399994 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

aspirin-triggered protectin D1

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(10S,17S)-10,17-Dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid

1 reference

based on heuristic

inferred from InChI

10R,17S-dihydroxy-4Z,7Z,11E,13E,15E,19Z-docosahexaenoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₂O₄

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canonical SMILES

CCC=CCC(O)C=CC=CC=CC(O)CC=CCC=CCCC(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

OC(CC/C=C\C/C=C\C[C@@H](/C=C/C=C\C=C\[C@H](C/C=C\CC)O)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/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8-,10-3-,11-6-,17-12+,18-13+/t20-,21-/m0/s1

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CRDZYJSQHCXHEG-XLBFCUQGSA-N

1 reference

ChEBI release 2020-09-01

1 reference

matched by identifier from

CRDZYJSQHCXHEG-XLBFCUQGSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8-,10-3-,11-6-,17-12+,18-13+/t20-,21-/m0/s1

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8-,10-3-,11-6-,17-12+,18-13+/t20-,21-/m0/s1

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

CRDZYJSQHCXHEG-XLBFCUQGSA-N

UniChem compound ID

1 reference

Probes And Drugs ID

0 references

1 reference

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

30 June 2018

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