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CHEBI:57276 - feruloyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name feruloyl-CoA(4−)
ChEBI ID CHEBI:57276
ChEBI ASCII Name feruloyl-CoA(4-)
Definition An acyl-CoA(4−) that is the tetraanion of feruloyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H40N7O19P3S
Net Charge -4
Average Mass 939.67100
Monoisotopic Mass 939.131
InChI InChI=1S/C31H44N7O19P3S/c1-31(2,26(43)29(44)34-9-8-21(40)33-10-11-61-22(41)7-5-17-4-6-18(39)19(12-17)52-3)14-54-60(50,51)57-59(48,49)53-13-20-25(56-58(45,46)47)24(42)30(55-20)38-16-37-23-27(32)35-15-36-28(23)38/h4-7,12,15-16,20,24-26,30,39,42-43H,8-11,13-14H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t20-,24-,25-,26+,30-/m1/s1
InChIKey GBXZVJQQDAJGSO-HSJNEKGZSA-J
SMILES COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)n2cnc3c(N)ncnc23)ccc1O
ChEBI Ontology
Outgoing feruloyl-CoA(4−) (CHEBI:57276) is a acyl-CoA(4−) (CHEBI:58342)
feruloyl-CoA(4−) (CHEBI:57276) is conjugate base of feruloyl-CoA (CHEBI:14261)
Incoming trans-feruloyl-CoA(4−) (CHEBI:87305) is a feruloyl-CoA(4−) (CHEBI:57276)
feruloyl-CoA (CHEBI:14261) is conjugate acid of feruloyl-CoA(4−) (CHEBI:57276)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
4-hydroxy-3-methoxycinnamoyl-CoA(4−) ChEBI
feruloyl-CoA UniProt
feruloyl-CoA tetraanion ChEBI
feruloyl-coenzyme A(4−) ChEBI
Last Modified
26 May 2011