EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:57357 - 5-hydroxypentanoyl-CoA(4−)

ChEBI IDCHEBI:57357
ChEBI Name5-hydroxypentanoyl-CoA(4−)
Stars
ASCII Name5-hydroxypentanoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) that is the tetraanion of 5-hydroxypentanoyl-CoA, arising from deprotonation of phosphate and diphosphate functions.
Last Modified13 November 2017
DownloadsMolfile
FormulaC26H40N7O18P3S
Net Charge-4
Average Mass863.626
Monoisotopic Mass863.13853
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)CCCCO
InChIInChI=1S/C26H44N7O18P3S/c1-26(2,21(38)24(39)29-7-6-16(35)28-8-10-55-17(36)5-3-4-9-34)12-48-54(45,46)51-53(43,44)47-11-15-20(50-52(40,41)42)19(37)25(49-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,34,37-38H,3-12H2,1-2H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t15-,19-,20-,21+,25-/m1/s1
InChIKeyAMSWDUXCNHIVFP-ZMHDXICWSA-J
ChEBI Ontology
Outgoing Relation(s)
5-hydroxypentanoyl-CoA(4−) (CHEBI:57357) is a acyl-CoA(4−) (CHEBI:58342)
5-hydroxypentanoyl-CoA(4−) (CHEBI:57357) is conjugate base of 5-hydroxypentanoyl-CoA (CHEBI:15501)
Incoming Relation(s)
5-hydroxypentanoyl-CoA (CHEBI:15501) is conjugate acid of 5-hydroxypentanoyl-CoA(4−) (CHEBI:57357)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(5-hydroxypentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
5-hydroxypentanoyl-coenzyme A(4−)ChEBI
5-hydroxypentanoyl-CoA tetraanionChEBI
ω-hydroxypentanoyl-CoA(4−)ChEBI
5-hydroxyvaleryl-CoA(4−)ChEBI
UniProt Name  Source
5-hydroxy-pentanoyl-CoAUniProt