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Concept information

Preferred term

asterobactin c  

Type

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

Broader concept

charge

  • 0

formula

  • C37H61N7O13

inchi

  • InChI=1S/C37H61N7O13/c1-3-4-5-6-7-8-9-10-11-20-31(25(2)32(48)40-27(33(49)42-53)17-15-22-44(55)37(38)39)57-36(52)28(18-14-21-43(54)24-45)41-34(50)30(47)23-56-35(51)26-16-12-13-19-29(26)46/h12-13,16,19,24-25,27-28,30-31,46-47,53-55H,3-11,14-15,17-18,20-23H2,1-2H3,(H3,38,39)(H,40,48)(H,41,50)(H,42,49)

inchikey

  • JGIVUUUJEPUXSR-UHFFFAOYSA-N

mass

  • 811.931

monoisotopicmass

  • 811.43274

smiles

  • O=C(OCC(O)C(=O)NC(C(=O)OC(C(C(=O)NC(C(=O)NO)CCCN(O)C(=N)N)C)CCCCCCCCCCC)CCCN(O)C=O)C1=C(O)C=CC=C1

subset

  • 2_STAR

synonym EXACT

  • [3-[[1-[1-[[5-[carbamimidoyl(hydroxy)amino]-1-(hydroxyamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxotetradecan-3-yl]oxy-5-[ormyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-2-hydroxy-3-oxopropyl] 2-hydroxybenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198383

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