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CHEBI:145752 - 3-hydroxy-3-(3,4-dihydroxyphenyl)propanoyl-CoA(4−)

ChEBI IDCHEBI:145752
ChEBI Name3-hydroxy-3-(3,4-dihydroxyphenyl)propanoyl-CoA(4−)
Stars
ASCII Name3-hydroxy-3-(3,4-dihydroxyphenyl)propanoyl-CoA(4-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H40N7O20P3S
Net Charge-4
Average Mass943.668
Monoisotopic Mass943.12836
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)CC(O)c1ccc(O)c(O)c1
InChIInChI=1S/C30H44N7O20P3S/c1-30(2,25(44)28(45)33-6-5-20(41)32-7-8-61-21(42)10-17(39)15-3-4-16(38)18(40)9-15)12-54-60(51,52)57-59(49,50)53-11-19-24(56-58(46,47)48)23(43)29(55-19)37-14-36-22-26(31)34-13-35-27(22)37/h3-4,9,13-14,17,19,23-25,29,38-40,43-44H,5-8,10-12H2,1-2H3,(H,32,41)(H,33,45)(H,49,50)(H,51,52)(H2,31,34,35)(H2,46,47,48)/p-4/t17?,19-,23-,24-,25+,29-/m1/s1
InChIKeyPIDCKTUHAFJESG-YBHYYHSUSA-J
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-3-(3,4-dihydroxyphenyl)propanoyl-CoA(4−) (CHEBI:145752) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
3-hydroxy-3-(3,4-dihydroxyphenyl)propanoyl-CoAUniProt
Manual XrefsDatabases
CPD-21376MetaCyc