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CHEBI:57359 - 2,3-didehydropimeloyl-CoA(5−)

ChEBI IDCHEBI:57359
ChEBI Name2,3-didehydropimeloyl-CoA(5−)
Stars
ASCII Name2,3-didehydropimeloyl-CoA(5-)
DefinitionPentaanion of 2,3-didehydropimeloyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.
Last Modified15 January 2020
DownloadsMolfile
FormulaC28H39N7O19P3S
Net Charge-5
Average Mass902.639
Monoisotopic Mass902.12617
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)C=CCCCC(=O)[O-]
InChIInChI=1S/C28H44N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h5,7,14-16,21-23,27,40-41H,3-4,6,8-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/p-5/t16-,21-,22-,23+,27-/m1/s1
InChIKeyJLSPXYVUFSDGNY-UYRKPTJQSA-I
ChEBI Ontology
Outgoing Relation(s)
2,3-didehydropimeloyl-CoA(5−) (CHEBI:57359) is a acyl-CoA oxoanion (CHEBI:58946)
2,3-didehydropimeloyl-CoA(5−) (CHEBI:57359) is conjugate base of 2,3-didehydropimeloyl-CoA (CHEBI:15503)
Incoming Relation(s)
2,3-didehydropimeloyl-CoA (CHEBI:15503) is conjugate acid of 2,3-didehydropimeloyl-CoA(5−) (CHEBI:57359)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxylatohex-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
UniProt Name  Source
6-carboxyhex-2-enoyl-CoAUniProt