disodium 5-methyltetrahydrofolate (Q27287599)

SCHEMBL3442398 (English)

14 October 2016

chemical formula

C₂₀H₂₃N₇Na₂O₆

1 reference

SCHEMBL3442398 (English)

14 October 2016

canonical SMILES

CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

1 reference

SCHEMBL3442398 (English)

14 October 2016

isomeric SMILES

CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

1 reference

SCHEMBL3442398 (English)

InChI=1S/C20H25N7O6.2Na/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29;;/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31);;/q;2*+1/p-2/t12?,13-;;/m0../s1

14 October 2016

Identifiers

InChI

1 reference

SCHEMBL3442398 (English)

KKIWVYLOTHCGRV-RIWFDJIXSA-L

14 October 2016

InChIKey

1 reference

Global Substance Registration System

SCHEMBL3442398 (English)

14 October 2016

1 reference

UNII

R07WV1NW3C

disodium 5-methyltetrahydrofolate (English)

14 October 2016

1 reference

Disodium (2S)-2-[(4-{[(2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl)methyl]amino}benzoyl)amino]pentanedioate (English)

14 October 2016

1 reference

Global Substance Registration System

SCHEMBL3442398 (English)

14 October 2016

2 references

UNII

R07WV1NW3C

disodium 5-methyltetrahydrofolate (English)