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Concept information

Preferred term

SB 217452  

Type

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

Broader concept

charge

  • 0

formula

  • C16H24N6O9S

inchi

  • InChI=1S/C16H24N6O9S/c1-21-6(19-15(18)30)2-3-22(16(21)31)13-10(26)9(25)11(32-13)8(24)7(14(28)29)20-12(27)5(17)4-23/h2-3,5,7-11,13,23-26H,4,17H2,1H3,(H2,18,30)(H,20,27)(H,28,29)/t5-,7+,8-,9+,10+,11-,13+/m0/s1

inchikey

  • NGJDTPRGDCKRHD-ZAUJBZHMSA-N

mass

  • 476.460

monoisotopicmass

  • 476.13255

smiles

  • S1[C@@H](N2C(=O)N(C(=NC(=O)N)C=C2)C)[C@H](O)[C@H]([C@@H]1[C@@H](O)[C@@H](NC(=O)[C@@H](N)CO)C(=O)O)O

subset

  • 2_STAR

synonym EXACT

  • (2R,3S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-[(2S,3R,4R,5R)-5-(4-carbamoylimino-3-methyl-2-oxopyrimidin-1-yl)-3,4-dihydroxythiolan-2-yl]-3-hydroxypropanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200644

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