CHEBI:57389 - pentanoyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pentanoyl-CoA(4−)
ChEBI ID CHEBI:57389
ChEBI ASCII Name pentanoyl-CoA(4-)
Definition An acyl-CoA(4−) that is the tetranion of pentanoyl-CoA, arising from deprotonation of phosphate and diphosphate functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C26H40N7O17P3S
Net Charge -4
Average Mass 847.61900
Monoisotopic Mass 847.14362
InChI InChI=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
InChIKey RXUATCUKICAIOA-ZMHDXICWSA-J
SMILES CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
ChEBI Ontology
Outgoing 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 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 Sources
pentanoyl-CoA UniProt
pentanoyl-CoA tetraanion ChEBI
pentanoyl-coenzyme A(4−) ChEBI
S-valeryl-CoA(4−) ChEBI
S-valeryl-coenzyme A(4−) ChEBI
valeryl-CoA(4−) ChEBI
valeryl-coenzyme A(4−) ChEBI
Last Modified
19 May 2015