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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > glutamic acid derivative > edatrexate

Preferred term

edatrexate  

Type

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

Broader concept

charge

  • 0

formula

  • C22H25N7O5

inchi

  • InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11?,15-/m0/s1

inchikey

  • FSIRXIHZBIXHKT-MHTVFEQDSA-N

mass

  • 467.479

monoisotopicmass

  • 467.19172

smiles

  • NC=1C=2C(=NC=C(N2)CC(CC)C3=CC=C(C=C3)C(N[C@@H](CCC(O)=O)C(O)=O)=O)N=C(N1)N

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:135757

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