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CHEBI:87996 - 3-(m-hydroxyphenyl)propanoyl-CoA

ChEBI IDCHEBI:87996
ChEBI Name3-(m-hydroxyphenyl)propanoyl-CoA
Stars
ASCII Name3-(m-hydroxyphenyl)propanoyl-CoA
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-(3-hydroxyphenyl)propanoic acid.
Last Modified23 September 2015
SubmitterSteve
DownloadsMolfile
FormulaC30H44N7O18P3S
Net Charge0
Average Mass915.702
Monoisotopic Mass915.16764
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCc1cccc(O)c1
InChIInChI=1S/C30H44N7O18P3S/c1-30(2,25(42)28(43)33-9-8-20(39)32-10-11-59-21(40)7-6-17-4-3-5-18(38)12-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-5,12,15-16,19,23-25,29,38,41-42H,6-11,13-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t19-,23-,24-,25+,29-/m1/s1
InChIKeyCSPSLSQSVDSPEN-FUEUKBNZSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
3-(m-hydroxyphenyl)propanoyl-CoA (CHEBI:87996) has functional parent 3-(3-hydroxyphenyl)propanoic acid (CHEBI:1427)
3-(m-hydroxyphenyl)propanoyl-CoA (CHEBI:87996) is a acyl-CoA (CHEBI:17984)
3-(m-hydroxyphenyl)propanoyl-CoA (CHEBI:87996) is conjugate acid of 3-(m-hydroxyphenyl)propanoyl-CoA(4−) (CHEBI:87803)
Incoming Relation(s)
3-(m-hydroxyphenyl)propanoyl-CoA(4−) (CHEBI:87803) is conjugate base of 3-(m-hydroxyphenyl)propanoyl-CoA (CHEBI:87996)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(3-hydroxyphenyl)propanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
3-(3-hydroxyphenyl)propanoyl-coenzyme AChEBI
3-(3-hydroxyphenyl)propionyl-CoAChEBI
3-(3-hydroxyphenyl)propionyl-coenzyme AChEBI
3-(m-hydroxyphenyl)propanoyl-coenzyme AChEBI
3-(m-hydroxyphenyl)propionyl-CoAChEBI
3-(m-hydroxyphenyl)propionyl-coenzyme AChEBI