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CHEBI:140208 - aspirin-triggered protectin D1(1−)

ChEBI IDCHEBI:140208
ChEBI Nameaspirin-triggered protectin D1(1−)
Stars
ASCII Nameaspirin-triggered protectin D1(1-)
DefinitionA dihydroxydocosahexaenoate that is the conjugate base of aspirin-triggered protectin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified22 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC22H31O4
Net Charge-1
Average Mass359.486
Monoisotopic Mass359.22278
SMILESCC/C=C\C[C@@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\C/C=C\CCC(=O)[O-]
InChIInChI=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)/p-1/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21-/m1/s1
InChIKeyCRDZYJSQHCXHEG-HBMALMRFSA-M
ChEBI Ontology
Outgoing Relation(s)
aspirin-triggered protectin D1(1−) (CHEBI:140208) is a dihydroxydocosahexaenoate (CHEBI:136528)
aspirin-triggered protectin D1(1−) (CHEBI:140208) is conjugate base of aspirin-triggered protectin D1 (CHEBI:140202)
Incoming Relation(s)
aspirin-triggered protectin D1 (CHEBI:140202) is conjugate acid of aspirin-triggered protectin D1(1−) (CHEBI:140208)
IUPAC Name 
(4Z,7Z,10R,11E,13E,15Z,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoate
Synonyms  Source
AT-NPD1(1−)ChEBI
AT-(NPD1/PD1)(1−)ChEBI
aspirin-triggered neuroprotectin D1(1−)ChEBI
AT-PD1(1−)ChEBI
(4Z,7Z,10R,11E,13E,15Z,17R,19Z)-10,17-dihydroxydocosahexaenoateChEBI
10(R),17(R)-dihydroxydocosa-4Z,7Z,11E,13E,15Z,19Z-hexaenoateChEBI