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CHEBI:133441 - 11,12-dihydro-(12R)-hydroxyleukotriene C4(2−)

ChEBI IDCHEBI:133441
ChEBI Name11,12-dihydro-(12R)-hydroxyleukotriene C4(2−)
Stars
ASCII Name11,12-dihydro-(12R)-hydroxyleukotriene C4(2-)
DefinitionA leukotriene anion obtained by deprotonation of the three carboxy groups and protonation of the glutathionyl α-amino group of 11,12-dihydro-(12R)-hydroxyleukotriene C4; major species at pH 7.3.
Last Modified26 June 2019
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC30H47N3O10S
Net Charge-2
Average Mass641.784
Monoisotopic Mass641.29931
SMILESCCCCC/C=C\C[C@@H](O)C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])[C@@H](O)CCCC(=O)[O-]
InChIInChI=1S/C30H49N3O10S/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/h6-10,15,21-25,34-35H,2-5,11-14,16-20,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/p-2/b8-6-,9-7+,15-10+/t21-,22+,23+,24+,25-/m1/s1
InChIKeyGULYHEJDDHEDJT-GJUYVLLESA-L
ChEBI Ontology
Outgoing Relation(s)
11,12-dihydro-(12R)-hydroxyleukotriene C4(2−) (CHEBI:133441) is a leukotriene anion (CHEBI:62942)
11,12-dihydro-(12R)-hydroxyleukotriene C4(2−) (CHEBI:133441) is a tricarboxylic acid dianion (CHEBI:36300)
11,12-dihydro-(12R)-hydroxyleukotriene C4(2−) (CHEBI:133441) is conjugate base of 11,12-dihydro-(12R)-hydroxyleukotriene C4 (CHEBI:134519)
Incoming Relation(s)
11,12-dihydro-(12R)-hydroxyleukotriene C4 (CHEBI:134519) is conjugate acid of 11,12-dihydro-(12R)-hydroxyleukotriene C4(2−) (CHEBI:133441)
IUPAC Name 
(5S,6R,7E,9E,12R,14Z)-6-({(2R)-2-{[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino}-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-5,12-dihydroxyicosa-7,9,14-trienoate