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CHEBI:81303 - Sodium folinate

Default Structure
ChEBI IDCHEBI:81303
ChEBI NameSodium folinate
Stars
DownloadsMolfile
FormulaC20H22N7O7.Na
Net Charge0
Average Mass495.428
Monoisotopic Mass495.14784
SMILESNc1nc2c(c(=O)n1)N(C=O)C(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])cc1)CN2.[Na+]
InChIInChI=1S/C20H23N7O7.Na/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+1/p-1/t12?,13-;/m0./s1
InChIKeyUDDUKFYJPZYIPC-ZEDZUCNESA-M
ChEBI Ontology
Outgoing Relation(s)
Sodium folinate (CHEBI:81303) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
C17731KEGG COMPOUND
Registry NumbersSources
CAS:42476-21-1KEGG COMPOUND