Inchikey号

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August undefined, 2024

WebDec 20, 2012 · InChIKey is a 27-character compacted (hashed) version of InChI which is intended for Internet and database searching/indexing and is based on an SHA-256 hash of the InChI character string. The first block of InChIKey encodes molecular skeleton while the second block represents various kinds of isomerism (stereo, tautomeric, etc.). InChIKey is … WebInChIKey: InChIKey string list. SMILES: SMILES string list. Synonyms: Synonym string list. The input list can be provided by text, a file, or Entrez history. Registry IDs, SIDs, CIDs, …

About the IUPAC InChI Standard - InChI Trust

WebCAS号: 500-22-1 英文名称: 3-Pyridinecarboxaldehyde 英文同义词: Rowalind;NSC ... 500-22-1 ,CAS.cool Webcas号涵盖从1957年至今的科学文献中确定的物质，其他物质可追溯到20世纪初。它也称CAS编号(CAS Registry Number，或称CAS Number，CAS Rn，CAS #)，又称CAS登录号或CAS登记号码，是某种物质(化合物、高分子材料、生物序列(Biological sequences)、混合物或合金)的唯一的数字识别 ... red flare burst

有没有哪个软件可以查找各种物质的化学结构式？ - 知乎

WebMay 3, 2024 · 代谢物常见的ID号有好几种，今天和大家一起来整理一下代谢物常见的ID号。首先我们列一个清单（使用频率较高的代谢物ID）：CAS Registry NumberKEGG IDPubchem CIDHMDB IDSMILESInChIInChIKey01CAS Registry NumberCAS Registry Number是我们向供应商采购代谢物的关键依据（以保障买到正确的代谢物）。 WebMay 30, 2015 · As a result, the first InChIKey block is always the same for the same molecular skeleton. All isotopic substitutions, changes in stereoconfiguration, tautomeric state and coordination bonding are reflected in the second block. InChIKey inherits the Standard or non-standard nature of the parent InChI (signified by a dedicated flag … WebMay 13, 2015 · 目前支持结构式、iupac名称、分子式、cas号、inchl key、数字标识cid、smiles等多种方式进行搜索。为了方便大家使用，化合物百科模块已经加添加 … red flare by nose

database - How to retrieve InChI key for KEGG compound ...

如何通过结构式查询该化合物信息？ - 知乎

WebInChI is a structure-based chemical identifier, originally developed by IUPAC. As a standard identifier for chemical databases, InChI is essential for enabling effective information … WebOur Detroit family can be reached through the following contact information: 313-723-1493. [email protected]. knopfbuschWebThis service works as a resolver for different chemical structure identifiers and allows one to convert a given structure identifier into another representation or structure identifier. It can help you identify and find the chemical structure if … red flannel zip up hoodie

"WebDec 20, 2012 · InChIKey is a 27-character compacted (hashed) version of InChI which is intended for Internet and database searching/indexing and is based on an SHA-256 hash of the InChI character string. The first block of InChIKey encodes molecular skeleton while the second block represents various kinds of isomerism (stereo, tautomeric, etc.). " - Inchikey号

Inchikey号

InChI, the IUPAC International Chemical Identifier Journal of ...

Web本产品不向个人销售，仅用作科学研究，不用于任何人体实验及非科研性质的动物实验。 WebDec 15, 2024 · The IUPAC International Chemical Identifier (InChI TM) is a non-proprietary identifier for chemical substances that can be used in printed and electronic data sources thus enabling easier linking of diverse data compilations.It was developed under IUPAC Project 2000-025-1-800 during the period 2000-2004. Details of the project and the history …

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http://inchi.info/inchikey_overview_en.html WebMay 3, 2024 · 代谢物常见的ID号有好几种，今天和大家一起来整理一下代谢物常见的ID号。首先我们列一个清单（使用频率较高的代谢物ID）：CAS Registry NumberKEGG …

WebJul 3, 2024 · InChI=1S/C6H8O6/c7-1-2 (8)5-3 (9)4 (10)6 (11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1. InChI Key：CIWBSHSKHKDKBQ-JLAZNSOCSA-N. InChIKey 是对 InChI 运用 … WebSep 1, 2024 · One can use unichem from bioservices for this, however, these functions all require the InChIKey as input, e.g. KDXKERNSBIXSRK-YFKPBYRVSA-N Is it possible to interconvert the two using bioservices and if not is it possible to somehow use the functions in unichem with InChI rather than the InChIKey?

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WebInChIKey generator. This online service lets you generate an InChIKey from InChI. It uses our reimplementation of the InChI->InChIKey algorithm that is part of the OASA free software library and was thoroughly tested on all pubchem compounds. Enter your InChI below:

WebThe InChIKey is a fixed length (27 character) condensed digital representation of the InChI that is not designed to be human-understandable. InChI is a structure-based identifier, strictly unique, and non-proprietary, open source and freely accessible. InChIKey is a hashed version of InChI which allows for a compact representation and for ... red flare concert incidenthttp://inchi.info/keychecker_en.html red flare clothinghttp://inchi.info/keygenerator_en.html knopfbusch standortWebChemicalBook是一家致力于为化学行业用户提供最有价值信息的资源平台，平台可以使用使用中文名称,CAS号,英文名称,分子式,分子量,MDL号,EINECS号,结构式等多种方式检索，提 … knopfgarniturWeb丙酸钾，化学式k(c 2 h 5 coo)。它的熔点是410°c，是丙酸的钾盐。. 用途. 它用作食品防腐剂，在欧洲中拥有食品标签e编码e283，在澳大利亚和新西兰中拥有ins编号283。. 参考文献 knopfdruckprotheseWebSep 1, 2024 · I would like to retrieve the InChI representation for a given KEGG compound but I fail to find a direct solution for this (preferably doing it via bioservices ). One could do it via ChEBI like this: from bioservices import * kegg_con = KEGG () kegg_entry = kegg_con.parse (kegg_con.get ('C00047')) chebi_con = ChEBI () chebi_entry = chebi_con ... knopfemacherWebNov 18, 2024 · 氢原子层（以字母h开始）. 以维生素C的InChI为例. InChI=1S/C6H8O6/c7-1-2 (8)5-3 (9)4 (10)6 (11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1. 在PubMed ChemCompound数据 … red flare cost tarkov