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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:81303 - Sodium folinate
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ChEBI Ontology
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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
View more database links
Registry Number
Type
Source
42476-21-1
CAS Registry Number
KEGG COMPOUND