CHEBI:57389 - pentanoyl-CoA(4−)

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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
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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