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3-hydroxy-3-phenylpropionyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM101834Image of MNXM101834
#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
formulaC30H44N7O18P3S
charge0
mass915.16764
referencechebi:71290
InChIKeyAAZZVFONLHYNDZ-NVQRUNIKSA-N
InChIInChI=1S/C30H44N7O18P3S/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/h3-7,15-16,18-19,23-25,29,38,41-42H,8-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t18?,19-,23-,24-,25+,29-/m1/s1
SMILESCC(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
IdentifierDescription
CHEBI:71290
chebi:71290 		3-hydroxy-3-phenylpropionyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-3-phenylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3-hydroxy-3-phenylpropanoyl-CoA
3-hydroxy-3-phenylpropanoyl-coenzyme A
3-hydroxy-3-phenylpropionyl-coenzyme A
beta-hydroxyphenylpropanoyl-CoA
beta-hydroxyphenylpropanoyl-coenzyme A
beta-hydroxyphenylpropionyl-CoA
beta-hydroxyphenylpropionyl-coenzyme A
metacyc.compound:CPD-513
metacycM:CPD-513 		3-hydroxy-3-phenylpropanoyl-CoA
3-hydroxy-3-phenylpropionyl-CoA
3-hydroxy-3-phenylpropionyl-coenzyme A
beta-hydroxyphenyl-propionyl-CoA
CHEBI:71294
chebi:71294 		3-hydroxy-3-phenylpropionyl-CoA(4-)
3-hydroxy-3-phenylpropanoyl-CoA(4-)
3-hydroxy-3-phenylpropanoyl-coenzyme A(4-)
3-hydroxy-3-phenylpropionyl-coenzyme A(4-)
5'-O-{[({[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-3-phenylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphinato)oxy]phosphinato}-3'-O-phosphonatoadenosine
beta-hydroxyphenylpropanoyl-CoA(4-)
beta-hydroxyphenylpropanoyl-coenzyme A(4-)
beta-hydroxyphenylpropionyl-CoA(4-)
beta-hydroxyphenylpropionyl-coenzyme A(4-)
seed.compound:cpd29305
seedM:cpd29305 		HYDROXYCINNAMOYL-COA
seed.compound:cpd12862
seedM:cpd12862 		Hydroxycinnamoyl-CoA
3-hydroxy-3-phenylpropanoyl-CoA
3-hydroxy-3-phenylpropionyl-CoA
3-hydroxy-3-phenylpropionyl-coenzyme A
beta-hydroxyphenyl-propionyl-CoA
hydroxycinnamoyl-CoA
hydroxycinnamoyl-CoA (ambiguous)
seedM:M_cpd12862
seedM:M_cpd29305 		secondary/obsolete/fantasy identifier