{ "meta": { "disclaimer": "Do not rely on openFDA to make decisions regarding medical care. While we make every effort to ensure that data is accurate, you should assume all results are unvalidated. We may limit or otherwise restrict your access to the API in line with our Terms of Service.", "terms": "https://open.fda.gov/terms/", "license": "https://open.fda.gov/license/", "last_updated": "2025-09-19", "results": { "skip": 0, "limit": 1, "total": 1 } }, "results": [ { "codes": [ { "uuid": "80433794-727d-44db-ac70-9fd7671b99e4", "code": "6756-74-7", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=6756-74-7", "code_system": "CAS", "references": [ "9c7a556b-cef8-40e4-8e56-f8681a04ad27", "9f3cf189-dee1-49eb-9e63-953d888ff054" ] }, { "uuid": "3b2dcd3c-be94-c73b-64cf-10274f512d8e", "code": "DTXSID10986927", "type": "PRIMARY", "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID10986927", "code_system": "EPA CompTox", "references": [ "0fb21a5a-00ec-9785-afa0-34fef1841757" ] }, { "uuid": "bbd58e5e-7c9f-431a-8ebb-04c62b4cfe1d", "code": "Benzoyl-CoA", "type": "PRIMARY", "url": "https://en.wikipedia.org/wiki/Benzoyl-CoA", "code_system": "WIKIPEDIA" }, { "uuid": "2acbb68e-44d8-8ccd-d0ea-7e55bf43a868", "code": "15515", "type": "PRIMARY", "url": "https://www.ebi.ac.uk/chebi/chebiOntology.do?chebiId=CHEBI:15515", "code_system": "CHEBI", "references": [ "583b3638-9445-d617-99ef-9822fa2c352a" ] }, { "uuid": "b4a7fd23-bc5d-46e7-ad4d-574329e1bc9d", "code": "9543169", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/9543169", "code_system": "PUBCHEM" }, { "uuid": "c9fb169c-23b5-4b52-81fa-bdd5fd84c14b", "code": "94E93R5B3D", "type": "PRIMARY", "code_system": "FDA UNII" } ], "relationships": [ { "uuid": "ba26be27-abb0-43ea-a5f5-8a493bf8a0a1", "amount": { "uuid": "97173575-7d41-48f1-9d42-7aa589e7e68b" }, "type": "SALT/SOLVATE->PARENT", "related_substance": { "uuid": "5b12656d-0ff0-4bea-9e31-ebef78ca0c23", "refuuid": "7853075c-00a1-40a1-b124-6882c77ca255", "name": "Coenzyme A S-benzoate trilithium", "unii": "6ZL6G9S5GY", "linking_id": "6ZL6G9S5GY", "ref_pname": "Coenzyme A S-benzoate trilithium", "substance_class": "reference" } } ], "substance_class": "chemical", "names": [ { "uuid": "2afd1101-88e1-4202-9b5d-d10b1a0bd888", "name": "Benzoyl CoA", "stdName": "BENZOYL COA", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "9f3cf189-dee1-49eb-9e63-953d888ff054" ], "display_name": false }, { "uuid": "dd6e67c0-7af5-4534-84a1-c51dc8a9112a", "name": "Benzoyl coenzyme A", "stdName": "BENZOYL COENZYME A", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "63343639-713c-40d5-a800-df461c49842e" ], "display_name": true }, { "uuid": "9a3c89cc-e5d0-4b4f-a888-c165279c8f71", "name": "Coenzyme A, S-benzoate", "stdName": "COENZYME A, S-BENZOATE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "9f3cf189-dee1-49eb-9e63-953d888ff054" ], "display_name": false } ], "references": [ { "uuid": "057abf2e-8580-41dc-925b-57469a22b6bd", "citation": "CHEMID 2011", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "63343639-713c-40d5-a800-df461c49842e", "citation": "CHEMID 2011", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "9c7a556b-cef8-40e4-8e56-f8681a04ad27", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493391016000, "tags": [ "NOMEN" ] }, { "uuid": "583b3638-9445-d617-99ef-9822fa2c352a", "doc_type": "SYSTEM", "public_domain": true }, { "uuid": "9f3cf189-dee1-49eb-9e63-953d888ff054", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true, "tags": [ "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "0fb21a5a-00ec-9785-afa0-34fef1841757", "citation": "EPA CompTox", "doc_type": "EPA", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "e9012994-fe63-4362-8501-93e78d110771", "id": "e9012994-fe63-4362-8501-93e78d110771", "molfile": "\n Marvin 08052216022D \n\n 57 60 0 0 1 0 999 V2000\n 6.6144 -3.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5576 -5.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2721 -4.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9866 -5.2131 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7010 -4.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9866 -6.0381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9866 -4.3881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4155 -5.2131 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1299 -4.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4155 -6.0381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4155 -4.3881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8445 -5.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5589 -4.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2734 -5.2131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 13.9714 -4.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1464 -4.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9879 -4.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2734 -6.0381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7023 -5.2131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9879 -3.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4168 -4.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1313 -5.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8458 -4.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5602 -5.2131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8458 -3.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 19.2746 -4.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.9892 -5.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.7036 -4.8006 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 21.4181 -5.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.4181 -6.0381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3700 -3.4281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1985 -2.6211 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4283 -2.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9831 -2.8760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8397 -2.1019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0585 -3.7508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7838 -4.1875 0.0000 N 0 0 2 0 0 0 0 0 0 0 0 0\n 5.0693 -4.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6123 -3.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4562 -4.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8977 -5.4070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7918 -3.2942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6716 -4.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1132 -5.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5001 -5.1099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5375 -4.5230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 7.0895 -5.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9500 -3.8086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 7.8432 -4.8006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 7.7569 -3.9801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 22.1326 -4.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.8470 -5.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1326 -3.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.5615 -4.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.8470 -3.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.5615 -3.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8700 -5.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 48 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 49 2 1 1 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 4 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 8 11 1 0 0 0 0\n 9 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\n 13 16 1 0 0 0 0\n 14 17 1 0 0 0 0\n 14 18 1 6 0 0 0\n 17 19 1 0 0 0 0\n 17 20 2 0 0 0 0\n 19 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 23 25 2 0 0 0 0\n 24 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 27 28 1 0 0 0 0\n 28 29 1 0 0 0 0\n 29 30 2 0 0 0 0\n 29 51 1 0 0 0 0\n 31 32 1 0 0 0 0\n 50 31 1 6 0 0 0\n 32 33 2 0 0 0 0\n 32 34 1 0 0 0 0\n 32 35 1 0 0 0 0\n 36 43 1 0 0 0 0\n 37 38 1 0 0 0 0\n 37 39 1 0 0 0 0\n 46 37 1 1 0 0 0\n 38 40 1 0 0 0 0\n 38 41 2 0 0 0 0\n 39 42 2 0 0 0 0\n 40 42 1 0 0 0 0\n 40 43 2 0 0 0 0\n 41 44 1 0 0 0 0\n 43 45 1 0 0 0 0\n 44 45 2 0 0 0 0\n 46 47 1 0 0 0 0\n 46 48 1 0 0 0 0\n 46 57 1 6 0 0 0\n 47 49 1 0 0 0 0\n 48 50 1 0 0 0 0\n 49 50 1 0 0 0 0\n 51 52 2 0 0 0 0\n 51 53 1 0 0 0 0\n 52 54 1 0 0 0 0\n 53 55 2 0 0 0 0\n 54 56 2 0 0 0 0\n 55 56 1 0 0 0 0\nM END", "smiles": "CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@]([H])(n2cnc3c(N)ncnc32)O1)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O", "formula": "C28H40N7O17P3S", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "7e6e05fd-40a8-4cd3-a6fe-c265b640fe16" }, "defined_stereo": 5, "ez_centers": 0, "molecular_weight": "871.6424", "optical_activity": "UNSPECIFIED", "stereo_centers": 5 } ], "definition_level": "COMPLETE", "uuid": "b2eea309-17be-4afa-a399-169d19173d05", "version": "13", "structure": { "id": "b560dee4-7175-43cf-875e-79ace73036f7", "molfile": "Benzoyl CoA\n JSDraw208052216022D\n\n 57 60 0 0 1 0 0 V2000\n 12.5072 -5.7765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1817 -9.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5327 -9.0775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.8837 -9.8575 0.0000 P 0 0 0 0 0 0 5 0 0 0 0 0\n 20.2347 -9.0775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.8837 -11.4175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.8837 -8.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 21.5857 -9.8575 0.0000 P 0 0 0 0 0 0 5 0 0 0 0 0\n 22.9366 -9.0775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 21.5857 -11.4175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 21.5857 -8.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 24.2877 -9.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.6387 -9.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.9897 -9.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.4187 -7.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.8587 -7.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 28.3407 -9.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.9897 -11.4175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 29.6916 -9.8575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 28.3407 -7.5175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 31.0427 -9.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 32.3937 -9.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 33.7447 -9.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 35.0957 -9.8575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 33.7447 -7.5175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 36.4466 -9.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 37.7977 -9.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.1487 -9.0775 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 40.4997 -9.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.4997 -11.4175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8269 -6.4822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5026 -4.9562 0.0000 P 0 0 0 0 0 0 5 0 0 0 0 0\n 14.0462 -4.3972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.9863 -5.4383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7150 -3.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7833 -7.0925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9366 -7.9182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5856 -8.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6123 -6.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4263 -7.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2612 -10.2241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0608 -6.2291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9426 -8.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7776 -10.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6184 -9.6623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3618 -8.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4056 -9.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1418 -7.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8307 -9.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6676 -7.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 41.8507 -9.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.2016 -9.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 41.8507 -7.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 44.5527 -9.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.2016 -6.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 44.5527 -7.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0997 -9.4696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 48 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 49 2 1 1 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 4 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 8 11 1 0 0 0 0\n 9 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\n 13 16 1 0 0 0 0\n 14 17 1 0 0 0 0\n 14 18 1 6 0 0 0\n 17 19 1 0 0 0 0\n 17 20 2 0 0 0 0\n 19 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 23 25 2 0 0 0 0\n 24 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 27 28 1 0 0 0 0\n 28 29 1 0 0 0 0\n 29 30 2 0 0 0 0\n 29 51 1 0 0 0 0\n 31 32 1 0 0 0 0\n 50 31 1 6 0 0 0\n 32 33 2 0 0 0 0\n 32 34 1 0 0 0 0\n 32 35 1 0 0 0 0\n 36 43 1 0 0 0 0\n 37 38 1 0 0 0 0\n 37 39 1 0 0 0 0\n 46 37 1 1 0 0 0\n 38 40 1 0 0 0 0\n 38 41 2 0 0 0 0\n 39 42 2 0 0 0 0\n 40 42 1 0 0 0 0\n 40 43 2 0 0 0 0\n 41 44 1 0 0 0 0\n 43 45 1 0 0 0 0\n 44 45 2 0 0 0 0\n 46 47 1 0 0 0 0\n 46 48 1 0 0 0 0\n 46 57 1 6 0 0 0\n 47 49 1 0 0 0 0\n 48 50 1 0 0 0 0\n 49 50 1 0 0 0 0\n 51 52 2 0 0 0 0\n 51 53 1 0 0 0 0\n 52 54 1 0 0 0 0\n 53 55 2 0 0 0 0\n 54 56 2 0 0 0 0\n 55 56 1 0 0 0 0\nM END", "smiles": "CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@]([H])(n2cnc3c(N)ncnc32)O1)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O", "formula": "C28H40N7O17P3S", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 5, "ez_centers": 0, "molecular_weight": "871.6424", "optical_activity": "UNSPECIFIED", "references": [ "057abf2e-8580-41dc-925b-57469a22b6bd", "9f3cf189-dee1-49eb-9e63-953d888ff054" ], "stereo_centers": 5 }, "unii": "94E93R5B3D" } ] }