CHEBI:81303 - Sodium folinate

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ChEBI Name Sodium folinate
ChEBI ID CHEBI:81303
Stars This entity has been manually annotated by a third party.
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Formula C20H22N7NaO7
Net Charge 0
Average Mass 495.42110
Monoisotopic Mass 495.14784
InChI InChI=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
InChIKey UDDUKFYJPZYIPC-ZEDZUCNESA-M
SMILES [Na+].Nc1nc(=O)c2N(C=O)C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C([O-])=O)CNc2[nH]1
ChEBI Ontology
Outgoing Sodium folinate (CHEBI:81303) is a organic molecular entity (CHEBI:50860)
Manual Xref Database
C17731 KEGG COMPOUND
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Registry Number Type Source
42476-21-1 CAS Registry Number KEGG COMPOUND