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

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ChEBI Name 11,12-dihydro-12-oxoleukotriene C4 ChEBI ID CHEBI:134518 ChEBI ASCII Name 11,12-dihydro-12-oxoleukotriene C4 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H47N3O10S Net Charge 0 Average Mass 641.776 Monoisotopic Mass 641.29822 InChI InChI=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 InChIKey ZFHPYBQKHVEFHO-JIFMIKMISA-N SMILES C([C@H](NC(CC[C@@H](C(=O)O)N)=O)C(NCC(=O)O)=O)S[C@@H](\C=C\C=C\CC(C/C=C\CCCCC)=O)[C@H](O)CCCC(=O)O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 Sources 12-keto-c-LTB3 ChEBI 12-oxo-c-LTB3 ChEBI Manual Xref Database HMDB0060154 HMDB View more database links Last Modified 14 February 2017