…ase, we noticed a few issues, which are now fixed. Resolved Issues Batch Search InChIKey Skeleton search download functionality is restored Safety Data selection allows batch file to download Hover-over help texts are restored To enhance accessibility, informational text has been…

…ctronic data sources thus enabling easier linking of diverse data compilations. inChIKey MolecularEntity InChIKey is a hashed version of the full InChI (using the SHA-256 algorithm). inLanguage BroadcastService or CommunicateAction or CreativeWork or Event or LinkRole or Pronounc…

…F (gz) Chemical Component Model data file: mmCIF (gz) In addition, SMILES/InChI/InChIKey data files can be downloaded here: SMILES (OpenEye with stereo) ( tab delimited text SMILES (OpenEye) ( tab delimited text SMILES (CACTVS with stereo) ( tab delimited text SMILES (CACTVS) ( t…

…kutoH Coloquei os 4 campos do InChI no "Identifiers", agora são InChI InChI_Ref InChIKey InChIKey_Ref . E sobre o parâmetro type que existe na versão inglês parece ser para disponibilizar a existência da combinação de químicos, para ter produzido o do artigo, nesse caso, Adderall…

…ers might: ISNI (P213) CAS Registry Number (P231) EC number (P232) InChI (P234) InChIKey (P235) ISSN (P236) FAA airport code (P240) OCLC number (P243) ATC code (P267) CALIS ID (P270) ISO 3166-1 alpha-2 code (P297) ISO 3166-1 alpha-3 code (P298) ISO 3166-1 numeric code (P299) ISO …

…CS-szám 231-791-2 DrugBank DB09145 KEGG D00001 ChEBI 15377 RTECS szám ZC0110000 InChIKey XLYOFNOQVPJJNP-UHFFFAOYSA-N Beilstein 3587155 Gmelin 117 UNII 059QF0KO0R ChEMBL CHEMBL1098659 Kémiai és fizikai tulajdonságok Kémiai képlet H 2 O Moláris tömeg 18,01528 g/mol Megjelenés színt…

… 231-791-2 PubChem 962 ChEBI 15377 SMILES InChI InChI : vue 3D InChI=1/H2O/h1H2 InChIKey : XLYOFNOQVPJJNP-UHFFFAOYSA-N Apparence liquide incolore [ a ] , inodore et insipide Propriétés chimiques Formule H 2 O [Isomères] Masse molaire [ 2 ] 18,015 3 ± 0,000 4 g / mol H 11,19 %, O …

… illustrator , image , imagingTechnique , inAlbum , inBroadcastLineup , inChI , inChIKey , inCodeSet , inDefinedTermSet , inLanguage , inPlaylist , inProductGroupWithID , inStoreReturnsOffered , inSupportOf , incentiveAmount , incentiveCompensation , incentiveStatus , incentiveTy…

…ypes of this convenience type. A type MolecularEntity , with properties inChI , inChIKey , iupacName , molecularFormula , molecularWeight , monoisotopicMolecularWeight , smiles . A type ChemicalSubstance with properties chemicalComposition , chemicalRole , potentialUse . A type G…

…ypes of this convenience type. A type MolecularEntity , with properties inChI , inChIKey , iupacName , molecularFormula , molecularWeight , monoisotopicMolecularWeight , smiles . A type ChemicalSubstance with properties chemicalComposition , chemicalRole , potentialUse . A type G…

… structure identifier. Services provide methods to manipulate InChI Strings and InChIKeys, including conversion to and from the MOLfile format, checking validity of the InChI identifiers, searching ChemSpider using InChI inputs etc. pubchem.ncbi.nlm.nih.gov/edit/ PubChem Server S…

…Drugbank, PubChem compound, ChemSpider, KNApSAcK, and Wikidata IDs plus CAS and InChIKey. The tables are provided for each of the 25 species ("Anopheles gambiae", "Arabidopsis thaliana", "Bacillus subtilis", "Bos taurus", "Caenorhabditis elegans", "Canis familiaris", "Danio rerio…

…1 „MDMA” (în engleză). PubChem Wikidata Q278487 . Accesat în 19 noiembrie 2016 „InChIKey: SHXWCVYOXRDMCX-UHFFFAOYSA-N” „MDMA” (în engleză). ChemSpider Wikidata Q2311683 . Accesat în 19 noiembrie 2016 „MDMA” (în engleză). ChEBI Wikidata Q902623 . Accesat în 3 octombrie 2016 „MDMA”…

… molecules references: CCD BIRD Other derived data: CCD holdings SMILES, InChI, InChIKey Variants PDBx/mmCIF JSON SDF, smi, inch CCD: [last-character-hash]/[CCD ID]/ BIRD: e.g. [last-character-hash] Note that paths are case-sensitive -- use capital letters for hash and IDs. Other…

…btypes of this convenience type. A type MolecularEntity , with properties inChI inChIKey iupacName molecularFormula molecularWeight monoisotopicMolecularWeight smiles A type ChemicalSubstance with properties chemicalComposition chemicalRole potentialUse A type Gene with additiona…