CHEBI:15511 - trans-feruloyl-CoA

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ChEBI Name trans-feruloyl-CoA
ChEBI ID CHEBI:15511
ChEBI ASCII Name trans-feruloyl-CoA
Definition A feruloyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-feruloic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5047, CHEBI:12881, CHEBI:24033
Supplier Information
Download Molfile XML SDF
Formulae C31H44N7O19P3S
C31H44N7O19P3S
Net Charge 0
Average Mass 943.70300
Monoisotopic Mass 943.163
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)/b7-5+/t20-,24-,25-,26+,30-/m1/s1
InChIKey GBXZVJQQDAJGSO-NBXNMEGSSA-N
SMILES COc1cc(\C=C\C(=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
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing trans-feruloyl-CoA (CHEBI:15511) has functional parent coenzyme A (CHEBI:15346)
trans-feruloyl-CoA (CHEBI:15511) is a feruloyl-CoA (CHEBI:14261)
trans-feruloyl-CoA (CHEBI:15511) is conjugate acid of trans-feruloyl-CoA(4−) (CHEBI:87305)
Incoming trans-feruloyl-CoA(4−) (CHEBI:87305) is conjugate base of trans-feruloyl-CoA (CHEBI:15511)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
feruloyl-CoA ChEBI
trans-4-hydroxy-3-methoxycinnamoyl-CoA ChEBI
trans-4-hydroxy-3-methoxycinnamoyl-coenzyme A ChEBI
trans-feruloyl-CoA ChEBI
trans-Feruloyl-CoA KEGG COMPOUND
trans-feruloyl-coenzyme A ChEBI
Database Links Databases
C00007264 KNApSAcK
C00406 KEGG COMPOUND
View more database links
Citation Waiting for Citations Type Source
16666570 PubMed citation Europe PMC
Last Modified
17 August 2015