CHEBI:87451 - dihydrocaffeoyl-CoA

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ChEBI Name dihydrocaffeoyl-CoA
ChEBI ID CHEBI:87451
Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of dihydrocaffeic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H44N7O19P3S
Net Charge 0
Average Mass 931.69200
Monoisotopic Mass 931.16255
InChI InChI=1S/C30H44N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)6-4-16-3-5-17(38)18(39)11-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3,5,11,14-15,19,23-25,29,38-39,42-43H,4,6-10,12-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/t19-,23-,24-,25+,29-/m1/s1
InChIKey NDSCGRAEWDSLKF-FUEUKBNZSA-N
SMILES CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCc1ccc(O)c(O)c1
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 dihydrocaffeoyl-CoA (CHEBI:87451) has functional parent 3-(3,4-dihydroxyphenyl)propanoic acid (CHEBI:48400)
dihydrocaffeoyl-CoA (CHEBI:87451) is a acyl-CoA (CHEBI:17984)
dihydrocaffeoyl-CoA (CHEBI:87451) is conjugate acid of dihydrocaffeoyl-CoA(4−) (CHEBI:87137)
Incoming dihydrocaffeoyl-CoA(4−) (CHEBI:87137) is conjugate base of dihydrocaffeoyl-CoA (CHEBI:87451)
Synonyms Sources
3-(3,4-dihydroxyphenyl)propanoyl-CoA ChEBI
3-(3,4-dihydroxyphenyl)propanoyl-coenzyme A ChEBI
dihydrocaffeoyl-coenzyme A ChEBI
hydrocaffeoyl-CoA ChEBI
hydrocaffeoyl-coenzyme A ChEBI
Manual Xref Database
CPD-18003 MetaCyc
View more database links
Registry Number Type Source
22760301 Reaxys Registry Number Reaxys
Last Modified
11 January 2019