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CHEBI:188442 - (2-aminobenzyl)malonyl-CoA(5−)

ChEBI IDCHEBI:188442
ChEBI Name(2-aminobenzyl)malonyl-CoA(5−)
Stars
ASCII Name(2-aminobenzyl)malonyl-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)C(Cc1ccccc1N)C(=O)[O-]
InChIInChI=1S/C31H45N8O19P3S/c1-31(2,24(42)27(43)35-8-7-20(40)34-9-10-62-30(46)17(29(44)45)11-16-5-3-4-6-18(16)32)13-55-61(52,53)58-60(50,51)54-12-19-23(57-59(47,48)49)22(41)28(56-19)39-15-38-21-25(33)36-14-37-26(21)39/h3-6,14-15,17,19,22-24,28,41-42H,7-13,32H2,1-2H3,(H,34,40)(H,35,43)(H,44,45)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/p-5/t17?,19-,22-,23-,24+,28-/m1/s1
InChIKeyXWMYAGMMKIDKPJ-DTKOOQATSA-I
ChEBI Ontology
Outgoing Relation(s)
(2-aminobenzyl)malonyl-CoA(5−) (CHEBI:188442) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
(2-aminobenzyl)malonyl-CoAUniProt
Citations