CHEBI:57350 - 3-oxopimeloyl-CoA(5−)

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ChEBI Name 3-oxopimeloyl-CoA(5−)
ChEBI ID CHEBI:57350
ChEBI ASCII Name 3-oxopimeloyl-CoA(5-)
Definition Pentaanion of 3-oxopimeloyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C28H39N7O20P3S
Net Charge -5
Average Mass 918.63000
Monoisotopic Mass 918.12109
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)/p-5/t16-,21-,22-,23+,27-/m1/s1
InChIKey KJXFOFKTZDJLMQ-UYRKPTJQSA-I
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
ChEBI Ontology
Outgoing 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 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}
Synonym Source
3-oxopimeloyl-CoA UniProt
Last Modified
13 June 2014