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(E)-cinnamoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM987

	#reac
in my sandbox	0
in MNXref (generic)	25
in models (compartimentalized)	5

formula

C₃₀H₃₈N₇O₁₇P₃S

charge

-4

mass

893.12797

reference

chebi:57252

InChIKey

JVNVHNHITFVWIX-KZKUDURGSA-J

InChI

InChI=1S/C30H42N7O17P3S/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/h3-9,16-17,19,23-25,29,40-41H,10-15H2,1-2H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/b9-8+/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)/C=C/c1ccccc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57252 chebi:57252	(E)-cinnamoyl-CoA (E)-cinnamoyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(2E)-3-phenylprop-2-enoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] diphosphate}
seed.compound:cpd14972 seedM:cpd14972 kegg.compound:C16256 keggC:C16256	(E)-Cinnamoyl-CoA
CHEBI:10956 chebi:10956	(E)-cinnamoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(2E)-3-phenylprop-2-enoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} Cinnamoyl-coenzyme A Coenzyme A, S-(3-phenyl-2-propenoate), (E)-
sabiork.compound:2083 sabiorkM:2083	Cinnamoyl-CoA
seed.compound:cpd26724 seedM:cpd26724	Cinnamoyl-CoAs
seed.compound:cpd00422 seedM:cpd00422	Cinnamoyl-CoA (E)-Cinnamoyl-CoA (E)-cinnamoyl-CoA S-(Cinnamoyl) coenzyme A trans-cinnamoyl-CoA
lipidmaps:LMFA07050294 lipidmapsM:LMFA07050294	Cinnamoyl-CoA 3-Phenyl-2E-propenoyl-CoA 3-phenylacryloyl-CoA 3-phenylacryloyl-coenzyme A 3-phenylprop-2-enoyl-coenzyme A CoA 9:5 benzylideneacetyl-CoA benzylideneacetyl-coenzyme A beta-phenylacryloyl-CoA beta-phenylacryloyl-coenzyme A cinnamoyl-coenzyme A
kegg.compound:C00540 keggC:C00540	Cinnamoyl-CoA S-(Cinnamoyl) coenzyme A
CHEBI:57324 chebi:57324	cinnamoyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-phenylprop-2-enoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate} 3-phenylacrylyl-CoA(4-) benzylideneacetyl-CoA(4-) beta-phenylacrylyl-CoA(4-) cinnamoyl-CoA tetraanion cinnamoyl-coenzyme A(4-)
metacyc.compound:CINNAMOYL-COA metacycM:CINNAMOYL-COA	cinnamoyl-CoA (E)-3-phenyl-2-prop -2-enoyl-CoA
CHEBI:15463 chebi:15463	cinnamoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-phenylprop-2-enoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} 3-phenylacryloyl-CoA 3-phenylacryloyl-coenzyme A 3-phenylprop-2-enoyl-coenzyme A Cinnamoyl-CoA benzylideneacetyl-CoA benzylideneacetyl-coenzyme A beta-phenylacryloyl-CoA beta-phenylacryloyl-coenzyme A cinnamoyl-coenzyme A
chebi:13995 chebi:3712 keggC:M_C00540 keggC:M_C16256 seedM:M_cpd00422 seedM:M_cpd14972 seedM:M_cpd26724	secondary/obsolete/fantasy identifier