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3-oxo-3-phenylpropanoyl-CoA

MNXM3920 is deprecated and here replaced by MNXM735308
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM735308

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	2

formula

C₃₀H₄₂N₇O₁₈P₃S

charge

mass

913.15199

reference

chebi:27388

InChIKey

NHDPIYICCBKNNJ-FUEUKBNZSA-N

InChI

InChI=1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-9-8-20(39)32-10-11-59-21(40)12-18(38)17-6-4-3-5-7-17)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/h3-7,15-16,19,23-25,29,41-42H,8-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t19-,23-,24-,25+,29-/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)CC(=O)c1ccccc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27388 chebi:27388	3-oxo-3-phenylpropanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxo-3-phenylpropanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} 3-oxo-3-phenylpropionyl-CoA 3-oxo-3-phenylpropionyl-coenzyme A Benzoyl acetyl coenzyme A Benzoyl acetyl-CoA Benzoylacetyl-Coenzyme A benzoylacetyl-CoA
metacyc.compound:CPD-514 metacycM:CPD-514	3-oxo-3-phenylpropanoyl-CoA 3-keto-3-phenylpropionyl-CoA 3-oxo-3-phenylpropionyl-CoA 3-oxo-3-phenylpropionyl-coenzyme A benzoyl-acetyl-CoA beta-oxophenyl-propionyl-CoA oxocinnamoyl-CoA
seed.compound:cpd04390 seedM:cpd04390	Benzoyl acetyl-CoA 3-keto-3-phenylpropionyl-CoA 3-oxo-3-phenylpropanoyl-CoA 3-oxo-3-phenylpropionyl-CoA 3-oxo-3-phenylpropionyl-coenzyme A Benzoyl acetyl coenzyme A benzoyl-acetyl-CoA beta-oxophenyl-propionyl-CoA oxocinnamoyl-CoA
kegg.compound:C07118 keggC:C07118	Benzoylacetyl-CoA Benzoylacetyl coenzyme A
chebi:22732 chebi:3037 keggC:M_C07118 seedM:M_cpd04390	secondary/obsolete/fantasy identifier