CHEBI:12755 - indol-3-ylacetyl-CoA

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ChEBI Name indol-3-ylacetyl-CoA
ChEBI ID CHEBI:12755
Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of indol-3-ylacetic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C31H43N8O17P3S
Net Charge 0
Average Mass 924.70412
Monoisotopic Mass 924.16797
InChI InChI=1S/C31H43N8O17P3S/c1-31(2,26(43)29(44)34-8-7-21(40)33-9-10-60-22(41)11-17-12-35-19-6-4-3-5-18(17)19)14-53-59(50,51)56-58(48,49)52-13-20-25(55-57(45,46)47)24(42)30(54-20)39-16-38-23-27(32)36-15-37-28(23)39/h3-6,12,15-16,20,24-26,30,35,42-43H,7-11,13-14H2,1-2H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,36,37)(H2,45,46,47)/t20-,24-,25-,26+,30-/m1/s1
InChIKey WXOGUAPLOCTRFO-HSJNEKGZSA-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)Cc1c[nH]c2ccccc12
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 indol-3-ylacetyl-CoA (CHEBI:12755) has functional parent coenzyme A (CHEBI:15346)
indol-3-ylacetyl-CoA (CHEBI:12755) has functional parent indole-3-acetic acid (CHEBI:16411)
indol-3-ylacetyl-CoA (CHEBI:12755) is a acyl-CoA (CHEBI:17984)
indol-3-ylacetyl-CoA (CHEBI:12755) is conjugate acid of indol-3-ylacetyl-CoA(4−) (CHEBI:57271)
Incoming indol-3-ylacetyl-CoA(4−) (CHEBI:57271) is conjugate base of indol-3-ylacetyl-CoA (CHEBI:12755)
IUPAC Name
3'-phosphoadenosine 5'-[3-(3-hydroxy-4-{[3-({2-[(1H-indol-3-ylacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate]
Synonyms Sources
indol-3-ylacetyl-coenzyme A ChEBI
S-(indol-3-ylacetyl)-CoA ChEBI
S-(indol-3-ylacetyl)-coenzyme A ChEBI
Last Modified
11 August 2011