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mibig-secmet / mibig-json

Repository to track changes in MIBiG curation data stored in JSON format
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Error with BGC0002429 #305

Open jfdallery opened 11 months ago

jfdallery commented 11 months ago

Affected BGC Please give the BGC number of the affected cluster (e.g. BGC1234567). BGC0002429

Describe the error A clear and concise description of what the bug is. The actual borders of the BGC are 389265 to 404974 from the Genbank accession LTAN01000004.1. It comprises the genes CH63R_05473 to CH63R_05482. Literature: structures of the molecules are also provided by the two following references: https://doi.org/10.1021/acs.jnatprod.5b00779 https://doi.org/10.1021/acs.jnatprod.8b00796

In addition to higginsianin B, the following missing molecules are: higginsianin A (NPAtlas NPA021814; SMILES CC1=C(OC(=O)C(=C1O)C[C@@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@@]4([C@]3(CC@HC=C(C)C)C)C)C)C ) higginsianin C (pubchem ID 145720804; CHEMBL4529128; isomeric SMILES CC1=C(OC(=O)C(=C1O)C[C@@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@@H]4[C@]3(CCC@HC(C)(C)O)C)C)C ) 13-epi-higginsianin C (pubchem ID 145720805; CHEMBL4519308; isomeric SMILES CC1=C(OC(=O)C(=C1O)C[C@@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@@H]4[C@]3(CCC@@HC(C)(C)O)C)C)C )

elenadelpup commented 7 months ago

Has been addressed in the ongoing curation effort, will be fixed in the next MIBiG version.