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Concept information

Preferred term

7 هیدروکسی متوترکسات  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C20H22N8O6

inchi

  • InChI=1S/C20H22N8O6/c1-28(8-12-18(32)26-16-14(23-12)15(21)25-20(22)27-16)10-4-2-9(3-5-10)17(31)24-11(19(33)34)6-7-13(29)30/h2-5,11H,6-8H2,1H3,(H,24,31)(H,29,30)(H,33,34)(H5,21,22,25,26,27,32)

inchikey

  • HODZDDDNGRLGSI-UHFFFAOYSA-N

mass

  • 470.446

monoisotopicmass

  • 470.16623

smiles

  • OC(=O)C(NC(=O)C1=CC=C(N(CC2=NC=3C(NC2=O)=NC(=NC3N)N)C)C=C1)CCC(O)=O

subset

  • 2_STAR

synonym EXACT

  • 2-[[4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:166565

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