#compounds

KEGG分子数据库作为API，由官方KEGG REST服务提供支持。KEGG（京都基因与基因组百科全书）连接基因组、化学和疾病。获取任何KEGG条目并解析为JSON——代谢化合物、KEGG直系同源组（KO）、酶（EC编号）、反应、模块、药物、疾病、聚糖、基因或通路图；按名称搜索任何KEGG数据库；列出数据库的条目；在数据库之间交叉链接条目（基因到其通路、通路到其化合物、酶到其反应）；以及将KEGG标识符与外部命名空间（NCBI Gene/Protein、UniProt、ChEBI、PubChem）相互转换。非常适合系统生物学和代谢组学流程、酶和直系同源映射、药物和疾病研究、基因到通路注释以及生物信息学标识符转换。KEGG ID以字母为前缀（C化合物、K直系同源、D药物、H疾病、M模块、R反应、G聚糖）或按生物体编码（hsa人类、eco大肠杆菌）。

api.oanor.com/kegg-api

Chemical compound data as an API, powered by NIH PubChem (>100 million compounds). Look up any compound by common name, PubChem CID or SMILES and get its molecular formula, molecular and exact mass, IUPAC name, canonical SMILES, InChI and InChIKey, plus physicochemical properties (XLogP, TPSA, formal charge, hydrogen-bond donor/acceptor counts, rotatable bonds, heavy-atom count). List a compound's synonyms and trade/registry names, or resolve a name to PubChem CIDs. Ideal for cheminformatics, lab software, education, drug-discovery tooling and scientific data pipelines.

api.oanor.com/chemistry-api