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Concept information

Preferred term

کاتنولوباکتین A  

Type

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

Broader concept

charge

  • 0

formula

  • C27H30N4O9

inchi

  • InChI=1S/C27H30N4O9/c1-14-21(30-25(39-14)17-9-4-6-12-20(17)33)24(35)28-18(27(37)38)10-7-13-31-26(36)22(15(2)40-31)29-23(34)16-8-3-5-11-19(16)32/h3-6,8-9,11-12,14-15,18,21-22,32-33H,7,10,13H2,1-2H3,(H,28,35)(H,29,34)(H,37,38)/t14-,15+,18-,21+,22+/m1/s1

inchikey

  • HPKUVOXMUWHGDT-XNTGDEFBSA-N

mass

  • 554.556

monoisotopicmass

  • 554.20128

smiles

  • O=C1N(O[C@H]([C@@H]1NC(=O)C2=C(O)C=CC=C2)C)CCC[C@@H](NC(=O)[C@H]3N=C(C4=C(O)C=CC=C4)O[C@@H]3C)C(=O)O

subset

  • 2_STAR

synonym EXACT

  • (2R)-5-[(4S,5S)-4-[(2-hydroxybenzoyl)amino]-5-methyl-3-oxo-1,2-oxazolidin-2-yl]-2-[[(4S,5R)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]pentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210450

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