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CHEBI:189077 - (R,S)-[hydroxy(phenyl)methyl]succinyl-CoA

ChEBI IDCHEBI:189077
ChEBI Name(R,S)-[hydroxy(phenyl)methyl]succinyl-CoA
Stars
ASCII Name(R,S)-[hydroxy(phenyl)methyl]succinyl-CoA
DefinitionA [hydroxy(phenyl)methyl]succinyl-CoA in which the [hydroxy(phenyl)methyl]succinic acid moiety adopts 1R,2S-configuration.
Last Modified20 August 2024
SubmitterAdnan
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@@H](CC(=O)O)[C@@H](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+/m0/s1
InChIKeyDVSQFPLMOLPRDU-WCROGVKBSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(R,S)-[hydroxy(phenyl)methyl]succinyl-CoA (CHEBI:189077) is a [hydroxy(phenyl)methyl]succinyl-CoA (CHEBI:28202)
(R,S)-[hydroxy(phenyl)methyl]succinyl-CoA (CHEBI:189077) is conjugate acid of (R,S)-[hydroxy(phenyl)methyl]succinyl-CoA(5−) (CHEBI:189059)
Incoming Relation(s)
(R,S)-[hydroxy(phenyl)methyl]succinyl-CoA(5−) (CHEBI:189059) is conjugate base of (R,S)-[hydroxy(phenyl)methyl]succinyl-CoA (CHEBI:189077)
IUPAC Name 
(9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-20-[(R)-hydroxy(phenyl)methyl]-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide
Synonym  Source
(2S)-2-[(R)-hydroxybenzyl]succinyl-CoAChEBI
Manual XrefsDatabases
C09819KEGG COMPOUND
Citations