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(Q83102640)
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English
(3',5',7,9-3H)Folic acid
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
449.1725783120002
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₁₉N₇O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
[3H]c1cc(C(=O)NC(CCC(=O)O)C(=O)O)cc([3H])c1NC([3H])c1nc2c(O)nc(=N)[nH]c2nc1[3H]
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
[3H]c1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc([3H])c1NC([3H])c1nc2c(O)nc(=N)[nH]c2nc1[3H]
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1/i3T,4T,7T,8T/t7?,12-
0 references
InChIKey
OVBPIULPVIDEAO-CRDTWPRNSA-N
0 references
CAS Registry Number
73756-06-6
0 references
PubChem CID
135583309
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
56504170
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10224098
0 references
DSSTOX compound identifier
DTXCID10146589
0 references
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