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CHEBI:28202 - [hydroxy(phenyl)methyl]succinyl-CoA

ChEBI IDCHEBI:28202
ChEBI Name[hydroxy(phenyl)methyl]succinyl-CoA
Stars
DefinitionA hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of [hydroxy(phenyl)methyl]succinic acid.
Secondary ChEBI IDsCHEBI:285, CHEBI:18835
Last Modified20 January 2022
DownloadsMolfile
FormulaC32H46N7O20P3S
Net Charge0
Average Mass973.738
Monoisotopic Mass973.17312
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)C(CC(=O)O)C(O)c1ccccc1
InChIInChI=1S/C32H46N7O20P3S/c1-32(2,26(45)29(46)35-9-8-20(40)34-10-11-63-31(47)18(12-21(41)42)23(43)17-6-4-3-5-7-17)14-56-62(53,54)59-61(51,52)55-13-19-25(58-60(48,49)50)24(44)30(57-19)39-16-38-22-27(33)36-15-37-28(22)39/h3-7,15-16,18-19,23-26,30,43-45H,8-14H2,1-2H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t18?,19-,23?,24-,25-,26+,30-/m1/s1
InChIKeyDVSQFPLMOLPRDU-ONDZYRKQSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
[hydroxy(phenyl)methyl]succinyl-CoA (CHEBI:28202) is a hydroxyacyl-CoA (CHEBI:62618)
Incoming Relation(s)
(R,S)-[hydroxy(phenyl)methyl]succinyl-CoA (CHEBI:189077) is a [hydroxy(phenyl)methyl]succinyl-CoA (CHEBI:28202)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[2-(carboxymethyl)-3-hydroxy-3-phenylpropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
2-(α-hydroxybenzyl)succinyl-CoAChEBI
2-(α-hydroxybenzyl)succinyl-coenzyme AChEBI
(Hydroxymethylphenyl)succinyl-CoAKEGG COMPOUND
[hydroxy(phenyl)methyl]succinyl-coenzyme AChEBI
Manual XrefsDatabases
c0343UM-BBD