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CHEBI:57389 - pentanoyl-CoA(4−)

Default Structure
ChEBI IDCHEBI:57389
ChEBI Namepentanoyl-CoA(4−)
Stars
ASCII Namepentanoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) that is the tetranion of pentanoyl-CoA, arising from deprotonation of phosphate and diphosphate functions.
Last Modified19 May 2015
DownloadsMolfile
FormulaC26H40N7O17P3S
Net Charge-4
Average Mass847.627
Monoisotopic Mass847.14362
SMILESCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-]
InChIInChI=1S/C26H44N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,36-37H,4-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t15-,19-,20-,21+,25-/m1/s1
InChIKeyRXUATCUKICAIOA-ZMHDXICWSA-J
ChEBI Ontology
Outgoing Relation(s)
pentanoyl-CoA(4−) (CHEBI:57389) is a acyl-CoA(4−) (CHEBI:58342)
pentanoyl-CoA(4−) (CHEBI:57389) is a short chain fatty acyl-CoA(4−) (CHEBI:137040)
pentanoyl-CoA(4−) (CHEBI:57389) is conjugate base of pentanoyl-CoA (CHEBI:15536)
Incoming Relation(s)
pentanoyl-CoA (CHEBI:15536) is conjugate acid of pentanoyl-CoA(4−) (CHEBI:57389)
IUPAC Name 
3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(pentanoylsulfanyl)ethyl]amino}propyl)amino]butyl} diphosphate)
Synonyms  Source
S-valeryl-CoA(4−)ChEBI
S-valeryl-coenzyme A(4−)ChEBI
pentanoyl-CoA tetraanionChEBI
pentanoyl-coenzyme A(4−)ChEBI
valeryl-CoA(4−)ChEBI
valeryl-coenzyme A(4−)ChEBI
UniProt Name  Source
pentanoyl-CoAUniProt