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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name omega-Carboxy-N-acetyl-LTE4
ChEBI ID CHEBI:10613
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H37NO8S
Net Charge 0
Average Mass 511.630
Monoisotopic Mass 511.22399
InChI InChI=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
InChIKey CDLXVLKWNIXANF-KNJAQYGHSA-N
SMILES CC(=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
ChEBI Ontology
Outgoing omega-Carboxy-N-acetyl-LTE4 (CHEBI:10613) is a leukotriene (CHEBI:25029)
Synonyms Sources
(7E,9E,11Z,14Z)-(5S,6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-7,9,11,14-tetraen-1,20-dioate KEGG COMPOUND
omega-Carboxy-N-acetyl-LTE4 KEGG COMPOUND
omega-COOH-LTE4NAc KEGG COMPOUND
Manual Xref Database
C11629 KEGG COMPOUND
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Last Modified
28 July 2014