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Concept information

Preferred term

نئوپلیوکسین A  

Type

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

Broader concept

charge

  • 0

formula

  • C20H25N5O10

inchi

  • InChI=1S/C20H25N5O10/c1-7(13(28)10-3-2-9(27)4-22-10)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-8(6-26)23-20(25)34/h2-7,11-16,18,27-30H,21H2,1H3,(H,23,34)(H,24,31)(H,32,33)/t7-,11-,12-,13-,14-,15+,16+,18+/m0/s1

inchikey

  • AYXHZRVSIUJLAE-VHDFTHOZSA-N

mass

  • 495.445

monoisotopicmass

  • 495.16014

smiles

  • O=C1N(C=C(N1)C=O)[C@@H]2O[C@H]([C@H](NC(=O)[C@@H](N)[C@@H]([C@H](O)C3=NC=C(O)C=C3)C)C(=O)O)[C@H]([C@H]2O)O

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[(2R,3S,4R,5R)-5-(5-ormyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203581

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