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Concept information

Preferred term

مایکوباکتین تی  

Type

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

Broader concept

charge

  • 0

formula

  • C46H75N5O10

inchi

  • InChI=1S/C46H75N5O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-42(54)50(58)31-24-23-28-38(48-43(55)39-34-60-44(49-39)36-26-20-21-29-40(36)52)46(57)61-35(2)33-41(53)47-37-27-22-25-32-51(59)45(37)56/h20-21,26,29,35,37-39,52,58-59H,3-19,22-25,27-28,30-34H2,1-2H3,(H,47,53)(H,48,55)/t35-,37+,38+,39-/m1/s1

inchikey

  • FLJNVPAGIYBTDU-VBCJCOOLSA-N

mass

  • 858.131

monoisotopicmass

  • 857.55139

smiles

  • O=C1N(O)CCCC[C@@H]1NC(=O)C[C@H](OC(=O)[C@@H](NC(=O)[C@@H]2N=C(C3=C(O)C=CC=C3)OC2)CCCCN(O)C(=O)CCCCCCCCCCCCCCCCCCC)C

subset

  • 2_STAR

synonym EXACT

  • [(2R)-4-[[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino]-4-oxobutan-2-yl] (2S)-6-[hydroxy(icosanoyl)amino]-2-[[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]hexanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221772

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