EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:140640 - dihydroferuloyl-CoA(4−)

ChEBI IDCHEBI:140640
ChEBI Namedihydroferuloyl-CoA(4−)
Stars
ASCII Namedihydroferuloyl-CoA(4-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC31H42N7O19P3S
Net Charge-4
Average Mass941.696
Monoisotopic Mass941.14910
SMILESCOc1cc(CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)([O-])[O-])ccc1O
InChIInChI=1S/C31H46N7O19P3S/c1-31(2,26(43)29(44)34-9-8-21(40)33-10-11-61-22(41)7-5-17-4-6-18(39)19(12-17)52-3)14-54-60(50,51)57-59(48,49)53-13-20-25(56-58(45,46)47)24(42)30(55-20)38-16-37-23-27(32)35-15-36-28(23)38/h4,6,12,15-16,20,24-26,30,39,42-43H,5,7-11,13-14H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t20-,24-,25-,26+,30-/m1/s1
InChIKeyJUUQGRDBWMTHDA-HSJNEKGZSA-J
ChEBI Ontology
Outgoing Relation(s)
dihydroferuloyl-CoA(4−) (CHEBI:140640) is a feruloyl-CoA(4−) (CHEBI:57276)
UniProt Name  Source
dihydroferuloyl-CoAUniProt
Manual XrefsDatabases
CPD-21181MetaCyc
Citations