EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:188357 - 2-phenylsuccinyl-CoA(5−)

ChEBI IDCHEBI:188357
ChEBI Name2-phenylsuccinyl-CoA(5−)
Stars
ASCII Name2-phenylsuccinyl-CoA(5-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC31H39N7O19P3S
Net Charge-5
Average Mass938.672
Monoisotopic Mass938.12617
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-])c1ccccc1
InChIInChI=1S/C31H44N7O19P3S/c1-31(2,25(43)28(44)34-9-8-20(39)33-10-11-61-30(45)18(12-21(40)41)17-6-4-3-5-7-17)14-54-60(51,52)57-59(49,50)53-13-19-24(56-58(46,47)48)23(42)29(55-19)38-16-37-22-26(32)35-15-36-27(22)38/h3-7,15-16,18-19,23-25,29,42-43H,8-14H2,1-2H3,(H,33,39)(H,34,44)(H,40,41)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-5/t18?,19-,23-,24-,25+,29-/m1/s1
InChIKeyKODKGCNKVWLCNY-NVQRUNIKSA-I
ChEBI Ontology
Outgoing Relation(s)
2-phenylsuccinyl-CoA(5−) (CHEBI:188357) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
2-phenylsuccinyl-CoAUniProt
Citations