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