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CHEBI:57350 - 3-oxopimeloyl-CoA(5−)

ChEBI IDCHEBI:57350
ChEBI Name3-oxopimeloyl-CoA(5−)
Stars
ASCII Name3-oxopimeloyl-CoA(5-)
DefinitionPentaanion of 3-oxopimeloyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.
Last Modified15 January 2020
DownloadsMolfile
FormulaC28H39N7O20P3S
Net Charge-5
Average Mass918.638
Monoisotopic Mass918.12109
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@@H](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)/p-5/t16-,21-,22-,23+,27-/m1/s1
InChIKeyKJXFOFKTZDJLMQ-UYRKPTJQSA-I
ChEBI Ontology
Outgoing Relation(s)
3-oxopimeloyl-CoA(5−) (CHEBI:57350) is a acyl-CoA oxoanion (CHEBI:58946)
3-oxopimeloyl-CoA(5−) (CHEBI:57350) is conjugate base of 3-oxopimeloyl-CoA (CHEBI:15492)
Incoming Relation(s)
3-oxopimeloyl-CoA (CHEBI:15492) is conjugate acid of 3-oxopimeloyl-CoA(5−) (CHEBI:57350)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxylato-3-oxohexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
UniProt Name  Source
3-oxo-6-carboxyhexanoyl-CoAUniProt