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2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM2919Image of MNXM2919
#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 3
formulaC29H38N7O18P3S
charge-4
mass897.635683
referencechebi:63458
InChIKeyZTMHVINYLDVBNO-FOGVYBFTSA-J
InChIInChI=1S/C29H42N7O18P3S/c1-28(2,23(40)26(41)32-8-6-18(37)31-9-10-58-19(38)11-29-7-4-3-5-17(29)52-29)13-50-57(47,48)54-56(45,46)49-12-16-22(53-55(42,43)44)21(39)27(51-16)36-15-35-20-24(30)33-14-34-25(20)36/h3-5,7,14-17,21-23,27,39-40H,6,8-13H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/t16-,17?,21-,22-,23+,27-,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)CC12OC1C=CC=C2
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:63458
chebi:63458 		2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA
2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA(4-)
2-{7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl}acetyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
kegg.compound:C20062
keggC:C20062 		2-(1,2-Epoxy-1,2-dihydrophenyl)acetyl-CoA
seed.compound:cpd21301
seedM:cpd21301 		2-(1,2-Epoxy-1,2-dihydrophenyl)acetyl-CoA
2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA
2-{7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl}acetyl-CoA
metacyc.compound:CPD0-2362
metacycM:CPD0-2362 		2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA
2-{7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl}acetyl-CoA
CHEBI:63547
chebi:63547 		2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
bigg.metabolite:rephaccoa
biggM:rephaccoa 		Ring 1,2-epoxyphenylacetyl-CoA
biggM:M_rephaccoa
keggC:M_C20062
seedM:M_cpd21301 		secondary/obsolete/fantasy identifier