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

MNXM148501 is deprecated and replaced by MNXM2919

Properties

Image

Occurences in reactions

MNX_ID

MNXM2919

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	5

formula

C₂₉H₃₈N₇O₁₈P₃S

charge

-4

mass

897.12288

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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC12C=CC=CC1O2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
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