EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:173306 - 18-CoA-18-oxo-dinor-LTB4

ChEBI IDCHEBI:173306
ChEBI Name18-CoA-18-oxo-dinor-LTB4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H60N7O21P3S
Net Charge0
Average Mass1087.926
Monoisotopic Mass1087.27758
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCC=CCC(O)C=CC=CC=CC(O)CCCC(=O)O
InChIInChI=1S/C39H60N7O21P3S/c1-39(2,22-64-70(61,62)67-69(59,60)63-21-27-33(66-68(56,57)58)32(53)38(65-27)46-24-45-31-35(40)43-23-44-36(31)46)34(54)37(55)42-18-17-28(49)41-19-20-71-30(52)16-9-5-8-13-25(47)11-6-3-4-7-12-26(48)14-10-15-29(50)51/h3-8,11-12,23-27,32-34,38,47-48,53-54H,9-10,13-22H2,1-2H3,(H,41,49)(H,42,55)(H,50,51)(H,59,60)(H,61,62)(H2,40,43,44)(H2,56,57,58)
InChIKeyCQLBXHGTJMWNLT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
18-CoA-18-oxo-dinor-LTB4 (CHEBI:173306) is a long-chain fatty acyl-CoA (CHEBI:33184)
IUPAC Name 
18-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulanyl]-5,12-dihydroxy-18-oxooctadeca-6,8,10,14-tetraenoic acid
Manual XrefsDatabases
HMDB0012608HMDB