CHEBI:175815 - Leukotriene D5

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Leukotriene D5
ChEBI ID CHEBI:175815
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ChemicalBook:CB22589642, Selleckchem:tideglusib, ZINC000013985228
Download Molfile XML SDF
Formula C25H38N2O6S
Net Charge 0
Average Mass 494.650
Monoisotopic Mass 494.24506
InChI InChI=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
InChIKey RWLDHKGRPLNPBN-DSJHTHEWSA-N
SMILES S([C@H]([C@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\C/C=C\CC)C[C@H](N)C(=O)NCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via HEPE )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
30776673 ChemSpider
HMDB0012994 HMDB
LMFA03020073 LIPID MAPS
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