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phenylglyoxylyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM2272

	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	0

formula

C₂₉H₃₆N₇O₁₈P₃S

charge

-4

mass

895.10723

reference

chebi:58811

InChIKey

FISPFQWSJIRGHD-SVHODSNWSA-J

InChI

InChI=1S/C29H40N7O18P3S/c1-29(2,23(40)26(41)32-9-8-18(37)31-10-11-58-28(42)20(38)16-6-4-3-5-7-16)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(39)27(52-17)36-15-35-19-24(30)33-14-34-25(19)36/h3-7,14-15,17,21-23,27,39-40H,8-13H2,1-2H3,(H,31,37)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/p-4/t17-,21-,22-,23+,27-/m1/s1

SMILES

CC(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(=O)c1ccccc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58811 chebi:58811	phenylglyoxylyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[oxo(phenyl)acetyl]sulfanyl}ethyl)amino]propyl}amino)butyl] diphosphate} phenylglyoxylyl-CoA tetraanion phenylglyoxylyl-CoA(4-) phenylglyoxylyl-coenzyme A(4-)
kegg.compound:C15524 keggC:C15524	Phenylglyoxylyl-CoA
seed.compound:cpd11203 seedM:cpd11203	Phenylglyoxylyl-CoA phenylglyoxylyl-CoA
metacyc.compound:CPD-7242 metacycM:CPD-7242	phenylglyoxylyl-CoA
CHEBI:50117 chebi:50117	phenylglyoxylyl-CoA 2-ketophenylacetyl-CoA 2-ketophenylacetyl-coenzyme A 2-oxo-2-phenylacetyl-CoA 2-oxo-2-phenylacetyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[oxo(phenyl)acetyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} Phenylglyoxylyl-CoA alpha-ketophenylacetyl-CoA alpha-ketophenylacetyl-coenzyme A benzoyl-formyl coenzyme A benzoyl-formyl-CoA oxo(phenyl)acetyl-CoA oxo(phenyl)acetyl-coenzyme A
keggC:M_C15524 seedM:M_cpd11203	secondary/obsolete/fantasy identifier