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Concept information

Preferred term

کاتنولوباکتین B  

Type

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

Broader concept

charge

  • 0

formula

  • C27H30N4O9

inchi

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

inchikey

  • LDZQYJVRAADCDV-BUKMRGBOSA-N

mass

  • 554.556

monoisotopicmass

  • 554.20128

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (2R)-5-[hydroxy-[(4S,5R)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]-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:210455

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