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CHEBI:172855 - 3-Oxopimelyl-CoA

ChEBI IDCHEBI:172855
ChEBI Name3-Oxopimelyl-CoA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44N7O20P3S
Net Charge0
Average Mass923.678
Monoisotopic Mass923.15747
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCC(=O)O
InChIInChI=1S/C28H44N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-14,16,21-23,27,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/t16-,21-,22-,23?,27-/m1/s1
InChIKeyKJXFOFKTZDJLMQ-AMIBDLERSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
3-Oxopimelyl-CoA (CHEBI:172855) is a acyl-CoA (CHEBI:17984)
IUPAC Name 
7-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulanyl]-5,7-dioxoheptanoic acid
Manual XrefsDatabases
389939ChemSpider
3-OXOPIMELOYL-COAMetaCyc
C06715KEGG COMPOUND
HMDB0012158HMDB