{
    "accession": "MITE0000306",
    "status": "active",
    "comment": "CYP450 catalyzing benzylic C-H oxidation",
    "changelog": [
        {
            "version": "1",
            "date": "2026-04-14",
            "contributors": [
                "0000-0003-2971-646X"
            ],
            "reviewers": [
                "0000-0001-5863-7248",
                "0000-0002-9747-3423",
                "0000-0001-6534-6609"
            ],
            "comment": "New entry. Reviewer 3 changed added oxidation to keton."
        }
    ],
    "enzyme": {
        "name": "RusF",
        "description": "Cytochrome P450",
        "references": [
            "doi:10.1021/acs.orglett.5c00328"
        ],
        "databaseIds": {
            "uniprot": "W6R6G5",
            "genpept": "CDM37407.1"
        },
        "cofactors": {
            "inorganic": [
                "Fe"
            ]
        }
    },
    "reactions": [
        {
            "tailoring": [
                "Hydroxylation",
                "Monooxygenation",
                "Oxidation"
            ],
            "description": "Catalyzes benzylic C-H oxidation to alcohol",
            "reactionSMARTS": "[#6:1]1:[#6:5]:[#6:6]:[#6:4](-[#6:10]-[#6:11]-[#6:12]=[#6:13]-[#6:14]-[#6:15]-[#6:16]-[#6:17]-[#6:18]):[#6:2](-[#6:8]=[#8:9]):[#6:3]:1-[#8:7]>>[#6:1]1:[#6:5]:[#6:6]:[#6:4](-[#6@:10](/[#8])-[#6:11]-[#6:12]=[#6:13]-[#6:14]-[#6:15]-[#6:16]-[#6:17]-[#6:18]):[#6:2](-[#6:8]=[#8:9]):[#6:3]:1-[#8:7]",
            "reactions": [
                {
                    "substrate": "CCCCC/C=C/CCc1cccc(O)c1C=O",
                    "products": [
                        "CCCCCC=CC[C@@H](O)c1cccc(O)c1C=O"
                    ],
                    "isIntermediate": true,
                    "description": "CYP450 catalyzing benzylic C-H oxidation"
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "Heterologous expression",
                    "Inference from genomic data and chemical structure"
                ],
                "references": [
                    "doi:10.1021/acs.orglett.5c00328"
                ]
            }
        },
        {
            "tailoring": [
                "Oxidation"
            ],
            "description": "Catalyzes benzylic C-H oxidation to keton",
            "reactionSMARTS": "[#6:1]1:[#6:3](-[#8:7]):[#6:2](-[#6:8]=[#8:9]):[#6:4](-[#6:10](-[#6:11]-[#6:12]=[#6:13]-[#6:14]-[#6:15]-[#6:16]-[#6:17]-[#6:18])/[#8]):[#6:6]:[#6:5]:1>>[#6:1]1:[#6:3](-[#8:7]):[#6:2](-[#6:8]=[#8:9]):[#6:4](-[#6:10](-[#6:11]-[#6:12]=[#6:13]-[#6:14]-[#6:15]-[#6:16]-[#6:17]-[#6:18])=[#8]):[#6:6]:[#6:5]:1",
            "reactions": [
                {
                    "substrate": "CCCCCC=CCC(O)c1cccc(O)c1C=O",
                    "products": [
                        "CCCCCC=CCC(=O)c1cccc(O)c1C=O"
                    ],
                    "isIntermediate": true,
                    "description": "CYP450 catalyzing benzylic C-H oxidation"
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "Heterologous expression",
                    "Inference from genomic data and chemical structure"
                ],
                "references": [
                    "doi:10.1021/acs.orglett.5c00328"
                ]
            }
        }
    ]
}