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CHEBI:140639 - dihydro-4-coumaroyl-CoA(4−)

ChEBI IDCHEBI:140639
ChEBI Namedihydro-4-coumaroyl-CoA(4−)
Stars
ASCII Namedihydro-4-coumaroyl-CoA(4-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H40N7O18P3S
Net Charge-4
Average Mass911.670
Monoisotopic Mass911.13853
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)CCc1ccc(O)cc1
InChIInChI=1S/C30H44N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-4,6-7,15-16,19,23-25,29,38,41-42H,5,8-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/p-4/t19-,23-,24-,25+,29-/m1/s1
InChIKeyKGYNXBHEANIYOS-FUEUKBNZSA-J
ChEBI Ontology
Outgoing Relation(s)
dihydro-4-coumaroyl-CoA(4−) (CHEBI:140639) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
dihydro-4-coumaroyl-CoAUniProt
Manual XrefsDatabases
CPD-12449MetaCyc
Citations