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Concept information

Preferred term

(2r,3s,4r)-nbeta-acetylstreptothricin d  

Type

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

Broader concept

charge

  • 0

formula

  • C33H60N12O11

inchi

  • InChI=1S/C33H60N12O11/c1-16(47)41-19(7-4-10-39-23(50)12-18(36)6-3-9-38-22(49)11-17(35)5-2-8-34)13-24(51)42-27-28(52)29(56-32(37)54)21(15-46)55-31(27)45-33-43-25-20(48)14-40-30(53)26(25)44-33/h17-21,25-29,31,46,48,52H,2-15,34-36H2,1H3,(H2,37,54)(H,38,49)(H,39,50)(H,40,53)(H,41,47)(H,42,51)(H2,43,44,45)/t17-,18-,19-,20-,21-,25-,26-,27-,28+,29+,31-/m1/s1

inchikey

  • WPMGFKKSCCXUAK-AMLXFVRNSA-N

mass

  • 800.916

monoisotopicmass

  • 800.45045

smiles

  • O=C1NC[C@@H](O)[C@@H]2[C@H]1N=C(N[C@@H]3O[C@@H]([C@H](OC(=O)N)[C@H]([C@H]3NC(=O)C[C@H](NC(=O)C)CCCNC(=O)C[C@H](N)CCCNC(=O)C[C@H](N)CCCN)O)CO)N2

subset

  • 2_STAR

synonym EXACT

  • [(2R,3R,4S,5R,6R)-6-[[(3aR,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3R)-3-acetamido-6-[[(3R)-3-amino-6-[[(3R)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227742

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