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(E)-feruloyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM406

	#reac
in my sandbox	0
in MNXref (generic)	42
in models (compartimentalized)	9

formula

C₃₁H₄₀N₇O₁₉P₃S

charge

-4

mass

939.13345

reference

chebi:87305

InChIKey

GBXZVJQQDAJGSO-NBXNMEGSSA-J

InChI

InChI=1S/C31H44N7O19P3S/c1-31(2,26(43)29(44)34-9-8-21(40)33-10-11-61-22(41)7-5-17-4-6-18(39)19(12-17)52-3)14-54-60(50,51)57-59(48,49)53-13-20-25(56-58(45,46)47)24(42)30(55-20)38-16-37-23-27(32)35-15-36-28(23)38/h4-7,12,15-16,20,24-26,30,39,42-43H,8-11,13-14H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/b7-5+/t20-,24-,25-,26+,30-/m1/s1

SMILES

COc1cc(/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)([O-])[O-])ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:87305 chebi:87305	(E)-feruloyl-CoA (E)-feruloyl-CoA(4-) (E)-feruloyl-coenzyme A(4-) trans-4-hydroxy-3-methoxycinnamoyl-CoA(4-) trans-4-hydroxy-3-methoxycinnamoyl-coenzyme A(4-) trans-feruloyl-CoA(4-) trans-feruloyl-coenzyme A(4-)
bigg.metabolite:ferulcoa biggM:ferulcoa	Feruloyl-CoA
kegg.compound:C00406 keggC:C00406	Feruloyl-CoA (E)-3-(4-Hydroxy-3-methoxyphenyl)propenoyl-CoA 4-Hydroxy-3-methoxycinnamoyl-CoA trans-Feruloyl-CoA
seed.compound:cpd00321 seedM:cpd00321	Feruloyl-CoA ferulcoa feruloyl-CoA trans-Feruloyl-CoA trans-feruloyl-CoA
sabiork.compound:5074 sabiorkM:5074	Feruloyl-CoA trans-Feruloyl-CoA
lipidmaps:LMFA07050319 lipidmapsM:LMFA07050319	feruloyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate} 4-hydroxy-3-methoxycinnamoyl-CoA(4-) CoA 10:7 O2 feruloyl-CoA feruloyl-CoA tetraanion feruloyl-coenzyme A(4-)
metacyc.compound:FERULOYL-COA metacycM:FERULOYL-COA	feruloyl-CoA (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl-CoA (E)-4-hydroxy-3-methoxycinnamoyl-CoA
CHEBI:14261 chebi:14261	feruloyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 4-hydroxy-3-methoxycinnamoyl-CoA 4-hydroxy-3-methoxycinnamoyl-coenzyme A feruloyl-coenzyme A
CHEBI:57276 chebi:57276	feruloyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate} 4-hydroxy-3-methoxycinnamoyl-CoA(4-) feruloyl-CoA tetraanion feruloyl-CoA(4-) feruloyl-coenzyme A(4-)
lipidmaps:LMFA07050392 lipidmapsM:LMFA07050392	trans-feruloyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 10:5 O2 trans-4-hydroxy-3-methoxycinnamoyl-CoA trans-4-hydroxy-3-methoxycinnamoyl-coenzyme A trans-feruloyl-coenzyme A
CHEBI:15511 chebi:15511	trans-feruloyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} feruloyl-CoA trans-4-hydroxy-3-methoxycinnamoyl-CoA trans-4-hydroxy-3-methoxycinnamoyl-coenzyme A trans-Feruloyl-CoA trans-feruloyl-coenzyme A
chebi:12881 chebi:24033 chebi:5047 biggM:M_ferulcoa keggC:M_C00406 seedM:M_cpd00321	secondary/obsolete/fantasy identifier