CHEBI:189059 - (R,S)-[hydroxy(phenyl)methyl]succinyl-CoA(5−)

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ChEBI Name (R,S)-[hydroxy(phenyl)methyl]succinyl-CoA(5−) ChEBI ID CHEBI:189059 ChEBI ASCII Name (R,S)-[hydroxy(phenyl)methyl]succinyl-CoA(5-) Definition An acyl-CoA(4−) that is the pentaanion of (R,S)-[hydroxy(phenyl)methyl]succinyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxy functions. Major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C32H41N7O20P3S Net Charge -5 Average Mass 968.690 Monoisotopic Mass 968.13674 InChI InChI=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)/p-5/t18-,19+,23-,24+,25+,26-,30+/m0/s1 InChIKey DVSQFPLMOLPRDU-WCROGVKBSA-I SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC([O-])=O)[C@@H](O)C1=CC=CC=C1 ChEBI Ontology Outgoing (R,S)-[hydroxy(phenyl)methyl]succinyl-CoA(5−) (CHEBI:189059) is a acyl-CoA(4−) (CHEBI:58342) (R,S)-[hydroxy(phenyl)methyl]succinyl-CoA(5−) (CHEBI:189059) is conjugate acid of (R,S)-[hydroxy(phenyl)methyl]succinyl-CoA (CHEBI:189077) Incoming (R,S)-[hydroxy(phenyl)methyl]succinyl-CoA (CHEBI:189077) is conjugate base of (R,S)-[hydroxy(phenyl)methyl]succinyl-CoA(5−) (CHEBI:189059) IUPAC Name (9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydrofuran-2-yl]-9-hydroxy-20-[(R)-hydroxy(phenyl)methyl]-8,8-dimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oate 3,5-dioxide Synonyms Sources (2S)-2-[(R)-hydroxybenzyl]succinyl-CoA pentaanion SUBMITTER (2S)-[(R)-hydroxy(phenyl)methyl]succinyl-CoA UniProt Citation Type Source 34601806 PubMed citation SUBMITTER Last Modified 03 February 2022