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
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Formula C30H47N3O10S
Net Charge 0
Average Mass 641.776
Monoisotopic Mass 641.298
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 )
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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
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Last Modified
14 February 2017