CHEBI:3060 - Benzylsuccinyl-CoA

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ChEBI Name Benzylsuccinyl-CoA ChEBI ID CHEBI:3060 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C32H46N7O19P3S Net Charge 0 Average Mass 957.732 Monoisotopic Mass 957.17820 InChI InChI=1S/C32H46N7O19P3S/c1-32(2,26(44)29(45)35-9-8-21(40)34-10-11-62-31(46)19(13-22(41)42)12-18-6-4-3-5-7-18)15-55-61(52,53)58-60(50,51)54-14-20-25(57-59(47,48)49)24(43)30(56-20)39-17-38-23-27(33)36-16-37-28(23)39/h3-7,16-17,19-20,24-26,30,43-44H,8-15H2,1-2H3,(H,34,40)(H,35,45)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20-,24-,25-,26?,30-/m1/s1 InChIKey KIRGTNPWUTXDFF-DULMRFQQSA-N 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(O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(O)=O)Cc1ccccc1 ChEBI Ontology Outgoing Benzylsuccinyl-CoA (CHEBI:3060) is a polyol (CHEBI:26191) Synonyms Sources (R)-2-Benzylsuccinyl-CoA KEGG COMPOUND Benzylsuccinyl-CoA KEGG COMPOUND Manual Xref Database C09817 KEGG COMPOUND View more database links Last Modified 28 July 2014