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CHEBI:188440 - 3-(2-aminophenyl)succinyl-CoA(5−)

ChEBI IDCHEBI:188440
ChEBI Name3-(2-aminophenyl)succinyl-CoA(5−)
Stars
ASCII Name3-(2-aminophenyl)succinyl-CoA(5-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC31H40N8O19P3S
Net Charge-5
Average Mass953.687
Monoisotopic Mass953.13707
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(C(=O)[O-])c1ccccc1N
InChIInChI=1S/C31H45N8O19P3S/c1-31(2,25(43)28(44)35-8-7-20(40)34-9-10-62-21(41)11-17(30(45)46)16-5-3-4-6-18(16)32)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-6,14-15,17,19,23-25,29,42-43H,7-13,32H2,1-2H3,(H,34,40)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/p-5/t17?,19-,23-,24-,25+,29-/m1/s1
InChIKeyIDPODWJLQAIJHH-YBHYYHSUSA-I
ChEBI Ontology
Outgoing Relation(s)
3-(2-aminophenyl)succinyl-CoA(5−) (CHEBI:188440) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
3-(2-aminophenyl)succinyl-CoAUniProt
Citations