**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

cis-dihydrodiol derivative of phenylacetyl-CoA

Properties Image with InChI numbering Occurences in reactions MNX_ID MNXM1524673 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C29H44N7O20P3S charge 0 mass 935.689 reference vmhM:dhdpacoa vmhM:dhdpacoa InChIKey IFFFDKYRRUVOFP-KIOIQADTSA-N InChI InChI=1S/C29H44N7O20P3S/c1-29(2,24(43)27(44)32-8-7-18(38)31-9-10-60-20(41)11-16(37)5-3-4-6-19(39)40)13-53-59(50,51)56-58(48,49)52-12-17-23(55-57(45,46)47)22(42)28(54-17)36-15-35-21-25(30)33-14-34-26(21)36/h3-4,14-15,17,22-24,28,42-43H,5-13H2,1-2H3,(H,31,38)(H,32,44)(H,39,40)(H,48,49)(H,50,51)(H2,30,33,34)(H2,45,46,47)/b4-3-/t17-,22-,23-,24+,28-/m1/s1 SMILES CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)C/C=C\CC(=O)O

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Similar chemical compounds in external resources

Identifier	Description
vmhM:dhdpacoa vmhM:dhdpacoa vmhmetabolite:dhdpacoa vmhmetabolite:dhdpacoa	cis-dihydrodiol derivative of phenylacetyl-CoA
vmhM:M_dhdpacoa	secondary/obsolete/fantasy identifier