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CHEBI:134518 - 11,12-dihydro-12-oxoleukotriene C4

ChEBI IDCHEBI:134518
ChEBI Name11,12-dihydro-12-oxoleukotriene C4
Stars
ASCII Name11,12-dihydro-12-oxoleukotriene C4
DefinitionA leukotriene that is (5S,7E,9E,14Z)-5-hydroxy-12-oxoicosa-7,9,14-trienoic acid to which a glutathionyl group is attached at position 6 via a sulfide linkage.
Last Modified14 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC30H47N3O10S
Net Charge0
Average Mass641.784
Monoisotopic Mass641.29822
SMILESCCCCC/C=C\CC(=O)C/C=C/C=C/[C@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H](O)CCCC(=O)O
InChIInChI=1S/C30H47N3O10S/c1-2-3-4-5-6-8-12-21(34)13-9-7-10-15-25(24(35)14-11-16-27(37)38)44-20-23(29(41)32-19-28(39)40)33-26(36)18-17-22(31)30(42)43/h6-10,15,22-25,35H,2-5,11-14,16-20,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b8-6-,9-7+,15-10+/t22-,23-,24+,25-/m0/s1
InChIKeyZFHPYBQKHVEFHO-JIFMIKMISA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
11,12-dihydro-12-oxoleukotriene C4 (CHEBI:134518) has functional parent leukotriene C4 (CHEBI:16978)
11,12-dihydro-12-oxoleukotriene C4 (CHEBI:134518) is a glutathione derivative (CHEBI:24337)
11,12-dihydro-12-oxoleukotriene C4 (CHEBI:134518) is a ketone (CHEBI:17087)
11,12-dihydro-12-oxoleukotriene C4 (CHEBI:134518) is a leukotriene (CHEBI:25029)
11,12-dihydro-12-oxoleukotriene C4 (CHEBI:134518) is a organic sulfide (CHEBI:16385)
11,12-dihydro-12-oxoleukotriene C4 (CHEBI:134518) is a secondary alcohol (CHEBI:35681)
11,12-dihydro-12-oxoleukotriene C4 (CHEBI:134518) is a tricarboxylic acid (CHEBI:27093)
11,12-dihydro-12-oxoleukotriene C4 (CHEBI:134518) is conjugate acid of 11,12-dihydro-12-oxoleukotriene C4(2−) (CHEBI:133440)
Incoming Relation(s)
11,12-dihydro-12-oxoleukotriene C4(2−) (CHEBI:133440) is conjugate base of 11,12-dihydro-12-oxoleukotriene C4 (CHEBI:134518)
IUPAC Name 
L-γ-glutamyl-S-[(4S,5R,6E,8E,13Z)-1-carboxy-4-hydroxy-11-oxononadeca-6,8,13-trien-5-yl]-L-cysteinylglycine
Synonyms  Source
12-keto-c-LTB3ChEBI
12-oxo-c-LTB3ChEBI
Manual XrefsDatabases
HMDB0060154HMDB