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CHEBI:175815 - Leukotriene D5

ChEBI IDCHEBI:175815
ChEBI NameLeukotriene D5
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38N2O6S
Net Charge0
Average Mass494.654
Monoisotopic Mass494.24506
SMILESCC/C=C\C/C=C\C/C=C\C=C\C=C\[C@H](SC[C@H](N)C(=O)NCC(=O)O)[C@H](O)CCCC(=O)O
InChIInChI=1S/C25H38N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h3-4,6-7,9-13,16,20-22,28H,2,5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b4-3-,7-6-,10-9-,12-11+,16-13+/t20-,21+,22-/m0/s1
InChIKeyRWLDHKGRPLNPBN-DSJHTHEWSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Leukotriene D5 (CHEBI:175815) is a HEPE (CHEBI:72799)
IUPAC Name 
(5R,6S,7E,9E,11Z,14Z,17Z)-6-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulanyl-5-hydroxyicosa-7,9,11,14,17-pentaenoic acid
Manual XrefsDatabases
LMFA03020073LIPID MAPS
30776673ChemSpider
HMDB0012994HMDB