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Concept information

organooxygen compound > carboxamide > secondary carboxamide > n-acylglycine > n,n',n''-tris(2,3-dihydroxybenzoyl)-o-l-seryl-o-l-seryl l-serine
... > organooxygen compound > carbonyl compound > carboxylic acid > n-acyl-amino acid > n-acylglycine > n,n',n''-tris(2,3-dihydroxybenzoyl)-o-l-seryl-o-l-seryl l-serine
... > organooxygen compound > carbon oxoacid > carboxylic acid > n-acyl-amino acid > n-acylglycine > n,n',n''-tris(2,3-dihydroxybenzoyl)-o-l-seryl-o-l-seryl l-serine
organooxygen compound > carboxamide > n-acyl-amino acid > n-acylglycine > n,n',n''-tris(2,3-dihydroxybenzoyl)-o-l-seryl-o-l-seryl l-serine

Preferred term

n,n',n''-tris(2,3-dihydroxybenzoyl)-o-l-seryl-o-l-seryl l-serine  

Type

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

Broader concept

charge

  • 0

formula

  • C30H29N3O16

has_functional_parent

inchi

  • InChI=1S/C30H29N3O16/c34-10-16(31-25(41)13-4-1-7-19(35)22(13)38)29(46)49-12-18(33-27(43)15-6-3-9-21(37)24(15)40)30(47)48-11-17(28(44)45)32-26(42)14-5-2-8-20(36)23(14)39/h1-9,16-18,34-40H,10-12H2,(H,31,41)(H,32,42)(H,33,43)(H,44,45)/t16-,17-,18-/m0/s1

inchikey

  • NTWRWGRCGVKQNS-BZSNNMDCSA-N

mass

  • 687.567

monoisotopicmass

  • 687.15478

smiles

  • O(C[C@H](NC(=O)C1=C(O)C(O)=CC=C1)C(OC[C@H](NC(=O)C2=C(O)C(O)=CC=C2)C(O)=O)=O)C(=O)[C@@H](NC(=O)C3=C(O)C(O)=CC=C3)CO

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-[(2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-[(2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoyl]oxypropanoyl]oxypropanoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182161

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