Marvin  01191212122D          

 35 37  0  0  1  0            999 V2000
   -0.7145   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.8877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.6502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    4.5377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.0627    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5736    2.0627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8591    1.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8591    0.8252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    3.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    4.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5736    4.5377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 29  1  2  0  0  0  0
 29  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 27  1  0  0  0  0
 32  7  1  0  0  0  0
  6  4  1  0  0  0  0
 27  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8 31  1  0  0  0  0
 31  9  1  0  0  0  0
 11  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 15 16  2  0  0  0  0
 19 17  1  1  0  0  0
 25 18  2  0  0  0  0
 19 23  1  0  0  0  0
 19 21  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  6  7  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
 32 34  1  0  0  0  0
 34 33  2  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <ID>
CHEBI:15640

> <NAME>
5-formyltetrahydrofolic acid

> <DEFINITION>
A formyltetrahydrofolic acid in which the formyl group is located at position 5.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:2057; CHEBI:12127; CHEBI:18607

> <SYNONYM>
N5-Formyltetrahydrofolic acid; N5-Formyl-5,6,7,8-tetrahydrofolic acid; N-(5-formyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid; Leucovorinum; Leucovorin; L(-)-5-Formyl-5,6,7,8-tetrahydrofolic acid; Folinic acid; folinate; Acide folinique; 5-Formyltetrahydrofolate; 5-Formyl-5,6,7,8-tetrahydropteroyl-L-glutamic acid; 5-Formyl-5,6,7,8-tetrahydrofolic acid; 10-Formyl-7,8-dihydrofolic acid; (5-formyl-5,6,7,8-tetrahydropteroyl)glutamate

> <IUPAC_NAME>
N-[4-({[2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid

> <FORMULA>
C20H23N7O7

> <MASS>
473.43930

> <MONOISOTOPIC_MASS>
473.16590

> <CHARGE>
0

> <SMILES>
[H]C(=O)N1C(CNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12

> <INCHI>
InChI=1S/C20H23N7O7/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)/t12?,13-/m0/s1

> <INCHIKEY>
VVIAGPKUTFNRDU-ABLWVSNPSA-N

> <CAS_REGISTRY_NUMBER>
58-05-9

> <REAXYS_REGISTRY_NUMBER>
101688

> <CHEMIDPLUS>
58-05-9

> <DRUGBANK_ACCESSION>
DB03256

> <KEGG_COMPOUND_ACCESSION>
C03479

> <KEGG_DRUG_ACCESSION>
D07986

> <LINCS_ACCESSION>
LSM-5146

> <WIKIPEDIA_ACCESSION>
Folinic_acid

$$$$