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Concept information

Preferred term

(-)-(2s,3s,4r)-10-de-o-carbamoyl-12-o-carbamoylstreptothricin e  

Type

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

Broader concept

charge

  • 0

formula

  • C25H46N10O9

has_role

inchi

  • InChI=1S/C25H46N10O9/c26-5-1-3-11(27)7-15(37)30-6-2-4-12(28)8-16(38)32-19-21(40)20(39)14(10-43-24(29)42)44-23(19)35-25-33-17-13(36)9-31-22(41)18(17)34-25/h11-14,17-21,23,36,39-40H,1-10,26-28H2,(H2,29,42)(H,30,37)(H,31,41)(H,32,38)(H2,33,34,35)/t11-,12-,13+,14+,17+,18-,19+,20-,21-,23+/m0/s1

inchikey

  • TWWOHQBJOSKKBN-SNQQVPMJSA-N

mass

  • 630.69430

monoisotopicmass

  • 630.34492

smiles

  • [H][C@]12N/C(N[C@]1([H])C(=O)NC[C@H]2O)=N/[C@@H]1O[C@H](COC(N)=O)[C@H](O)[C@@H](O)[C@H]1NC(=O)C[C@@H](N)CCCNC(=O)C[C@@H](N)CCCN

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67575

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