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CHEBI:182161 - N,N',N''-Tris(2,3-dihydroxybenzoyl)-O-L-seryl-O-L-seryl L-serine

Default Structure
ChEBI IDCHEBI:182161
ChEBI NameN,N',N''-Tris(2,3-dihydroxybenzoyl)-O-L-seryl-O-L-seryl L-serine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H29N3O16
Net Charge0
Average Mass687.567
Monoisotopic Mass687.15478
SMILESO=C(N[C@@H](COC(=O)[C@H](COC(=O)[C@H](CO)NC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O)C(=O)O)c1cccc(O)c1O
InChIInChI=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
InChIKeyNTWRWGRCGVKQNS-BZSNNMDCSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N,N',N''-Tris(2,3-dihydroxybenzoyl)-O-L-seryl-O-L-seryl L-serine (CHEBI:182161) has functional parent N-benzoylglycine (CHEBI:18089)
N,N',N''-Tris(2,3-dihydroxybenzoyl)-O-L-seryl-O-L-seryl L-serine (CHEBI:182161) is a N-acylglycine (CHEBI:16180)
IUPAC Name 
(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
Manual XrefsDatabases
78438468ChemSpider
C22185KEGG COMPOUND