Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM2077Image of MNXM2077
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC31H42N7O20P3S
charge-4
mass957.14401
referencechebi:58004
InChIKeySDNPOBCYTJKZSD-XWQDBIPASA-J
InChIInChI=1S/C31H46N7O20P3S/c1-31(2,26(44)29(45)34-7-6-21(41)33-8-9-62-22(42)11-18(40)16-4-5-17(39)19(10-16)53-3)13-55-61(51,52)58-60(49,50)54-12-20-25(57-59(46,47)48)24(43)30(56-20)38-15-37-23-27(32)35-14-36-28(23)38/h4-5,10,14-15,18,20,24-26,30,39-40,43-44H,6-9,11-13H2,1-3H3,(H,33,41)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-4/t18?,20-,24-,25-,26+,30-/m1/s1
SMILESCOc1cc(C(O)CC(=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
IdentifierDescription
CHEBI:58004
chebi:58004 		3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA tetraanion
3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA(4-)
CHEBI:17068
chebi:17068 		3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA
4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA
metacyc.compound:CPD-11881
metacycM:CPD-11881 		3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA
3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA
4-hydroxy-3-methoxyphenyl-3-hydroxypropionyl-CoA
4-hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA
4-hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA
kegg.compound:C07303
keggC:C07303 		4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA
3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA
3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA
4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA
seed.compound:cpd04511
seedM:cpd04511 		4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA
3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA
3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA
4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA
4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA
4-hydroxy-3-methoxyphenyl-3-hydroxypropionyl-CoA
4-hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA
4-hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA
chebi:11996
chebi:1844
chebi:20381
keggC:M_C07303
seedM:M_cpd04511 		secondary/obsolete/fantasy identifier