Feedback

(E)-caffeoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM443Image of MNXM443
#reac
in my sandbox 0
in MNXref (generic)48
in models (compartimentalized) 8
formulaC30H38N7O19P3S
charge-4
mass925.645783
referencechebi:87136
InChIKeyQHRGJMIMHCLHRG-ZSELIEHESA-J
InChIInChI=1S/C30H42N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)6-4-16-3-5-17(38)18(39)11-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3-6,11,14-15,19,23-25,29,38-39,42-43H,7-10,12-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/p-4/b6-4+/t19-,23-,24-,25+,29-/m1/s1
SMILESCC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\c1ccc(O)c(O)c1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:87136
chebi:87136
(E)-caffeoyl-CoA
(E)-3,4-dihydroxycinnamoyl-CoA(4-)
(E)-3,4-dihydroxycinnamoyl-coenzyme A(4-)
(E)-caffeoyl-CoA(4-)
(E)-caffeoyl-coenzyme A(4-)
trans-3,4-dihydroxycinnamoyl-CoA(4-)
trans-3,4-dihydroxycinnamoyl-coenzyme A(4-)
trans-caffeoyl-CoA(4-)
trans-caffeoyl-coenzyme A(4-)
metacyc.compound:CAFFEOYL-COA
metacycM:CAFFEOYL-COA
(E)-caffeoyl-CoA
3,4-dihydroxyacryloyl-CoA
trans-caffeoyl-CoA
bigg.metabolite:caffcoa
biggM:caffcoa
sabiork.compound:2017
sabiorkM:2017
Caffeoyl-CoA
kegg.compound:C00323
keggC:C00323
Caffeoyl-CoA
(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl-CoA
seed.compound:cpd00270
seedM:cpd00270
Caffeoyl-CoA
3,4-dihydroxyacryloyl-CoA
caffcoa
caffeoyl-CoA
trans-caffeoyl-CoA
lipidmaps:LMFA07050293
lipidmapsM:LMFA07050293
caffeoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3,4-dihydroxyphenylprop-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3,4-dihydroxyacryloyl-CoA
CHEBI:15518
chebi:15518
caffeoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3,4-dihydroxyphenylprop-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Caffeoyl-CoA
CHEBI:57372
chebi:57372
caffeoyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3,4-dihydroxyphenylprop-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
caffeoyl-CoA(4-)
CHEBI:87449
chebi:87449
trans-caffeoyl-CoA
(E)-3,4-dihydroxycinnamoyl-CoA
(E)-3,4-dihydroxycinnamoyl-coenzyme A
(E)-caffeoyl-CoA
(E)-caffeoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2E)-(3,4-dihydroxyphenylprop-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
trans-3,4-dihydroxycinnamoyl-CoA
trans-3,4-dihydroxycinnamoyl-coenzyme A
trans-caffeoyl-coenzyme A
chebi:13930
chebi:22983
chebi:3296
biggM:M_caffcoa
keggC:M_C00323
seedM:M_cpd00270
secondary/obsolete/fantasy identifier