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3-phenylpropanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM8128

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₃₀H₄₀N₇O₁₇P₃S

charge

-4

mass

895.14362

reference

chebi:85676

InChIKey

HYSDRCZPYSOWME-FUEUKBNZSA-J

InChI

InChI=1S/C30H44N7O17P3S/c1-30(2,25(41)28(42)33-11-10-20(38)32-12-13-58-21(39)9-8-18-6-4-3-5-7-18)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h3-7,16-17,19,23-25,29,40-41H,8-15H2,1-2H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/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)CCc1ccccc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:85676 chebi:85676	3-phenylpropanoyl-CoA 3-phenylpropanoyl-CoA(4-) 3-phenylpropionyl-CoA(4-) 3-phenylpropionyl-coenzyme A(4-) dihydrocinnamoyl-CoA(4-) dihydrocinnamoyl-coenzyme A(4-)
CHEBI:85675 chebi:85675	3-phenylpropanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-phenylpropanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl]dihydrogen diphosphate} 3-phenylpropionyl-CoA 3-phenylpropionyl-coenzyme A Phenylpropionyl-coenzyme A dihydrocinnamoyl-CoA dihydrocinnamoyl-coenzyme A
metacyc.compound:CPD-503 metacycM:CPD-503	3-phenylpropanoyl-CoA 3-phenylpropionyl-CoA dihydrocinnamoyl-CoA
seed.compound:cpd24551 seedM:cpd24551	3-phenylpropionyl-CoA 3-phenylpropanoyl-CoA dihydrocinnamoyl-CoA
seedM:M_cpd24551	secondary/obsolete/fantasy identifier