CHEBI:15492 - 3-oxopimeloyl-CoA

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ChEBI Name 3-oxopimeloyl-CoA
ChEBI ID CHEBI:15492
Definition The S-(3-oxopimeloyl) derivative of coenzyme A.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20098, CHEBI:20178, CHEBI:1649, CHEBI:11876
Supplier Information ZINC000096077650
Download Molfile XML SDF
Formula C28H44N7O20P3S
Net Charge 0
Average Mass 923.67142
Monoisotopic Mass 923.15747
InChI InChI=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
InChIKey KJXFOFKTZDJLMQ-UYRKPTJQSA-N
SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-oxopimeloyl-CoA (CHEBI:15492) has functional parent 3-oxopimelic acid (CHEBI:37259)
3-oxopimeloyl-CoA (CHEBI:15492) has functional parent pimeloyl-CoA (CHEBI:15504)
3-oxopimeloyl-CoA (CHEBI:15492) has role mouse metabolite (CHEBI:75771)
3-oxopimeloyl-CoA (CHEBI:15492) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
3-oxopimeloyl-CoA (CHEBI:15492) is conjugate acid of 3-oxopimeloyl-CoA(5−) (CHEBI:57350)
Incoming 3-oxopimeloyl-CoA(5−) (CHEBI:57350) is conjugate base of 3-oxopimeloyl-CoA (CHEBI:15492)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxy-3-oxohexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
3-Ketopimelyl-CoA KEGG COMPOUND
3-Oxopimeloyl-CoA KEGG COMPOUND
Manual Xrefs Databases
c0221 UM-BBD
C06715 KEGG COMPOUND
View more database links
Last Modified
27 January 2016