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CHEBI:10613 - omega-Carboxy-N-acetyl-LTE4

ChEBI IDCHEBI:10613
ChEBI Nameomega-Carboxy-N-acetyl-LTE4
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC25H37NO8S
Net Charge0
Average Mass511.637
Monoisotopic Mass511.22399
SMILESCC(=O)NC(CS[C@H](/C=C/C=C/C=C\C/C=C\CCCCC(=O)O)[C@@H](O)CCCC(=O)O)C(=O)O
InChIInChI=1S/C25H37NO8S/c1-19(27)26-20(25(33)34)18-35-22(21(28)14-13-17-24(31)32)15-11-9-7-5-3-2-4-6-8-10-12-16-23(29)30/h3-7,9,11,15,20-22,28H,2,8,10,12-14,16-18H2,1H3,(H,26,27)(H,29,30)(H,31,32)(H,33,34)/b5-3-,6-4-,9-7+,15-11+/t20?,21-,22+/m0/s1
InChIKeyCDLXVLKWNIXANF-KNJAQYGHSA-N
ChEBI Ontology
Outgoing Relation(s)
omega-Carboxy-N-acetyl-LTE4 (CHEBI:10613) is a leukotriene (CHEBI:25029)
Synonyms  Source
omega-Carboxy-N-acetyl-LTE4KEGG COMPOUND
(7E,9E,11Z,14Z)-(5S,6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-7,9,11,14-tetraen-1,20-dioateKEGG COMPOUND
omega-COOH-LTE4NAcKEGG COMPOUND
Manual XrefsDatabases
C11629KEGG COMPOUND