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

Properties MNX_ID MNXM2919 formula C29H38N7O18P3S charge -4 mass 897.635683 reference chebi:63458

InChIKey	ZTMHVINYLDVBNO-FOGVYBFTSA-J
InChI	InChI=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
SMILES	CC(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

Occurences in reactions

	#reac
Distinct reactions in my sandbox	0
Distinct generic reactions in MNXref	5
Distinct compatimentalized reactions in models	3

Similar chemical compounds in external resources

Identifier	Description
keggC:C20062	2-(1,2-Epoxy-1,2-dihydrophenyl)acetyl-CoA
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}
biggM:rephaccoa	Ring 1,2-epoxyphenylacetyl-CoA
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	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}
biggM:M_rephaccoa keggC:M_C20062 seedM:M_cpd21301	secondary/obsolete/fantasy identifier
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
MNXM148501	is deprecated and replaced by this entry
MNXM34635	is deprecated and replaced by this entry