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N-(2,3-dihydroxybenzoyl)-L-serine trimer

PropertiesImage
MNX_IDMNXM9396 Image of MNXM9396
referencechebi:143020
formulaC30H28N3O16
global charge-1
mol weight686.559
InChIKeyNTWRWGRCGVKQNS-BZSNNMDCSA-M
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)/p-1/t16-,17-,18-/m0/s1
SMILESO=C(N[C@@H](COC(=O)[C@H](COC(=O)[C@H](CO)NC(=O)C1=C(O)C(O)=CC=C1)NC(=O)C1=C(O)C(O)=CC=C1)C(=O)[O-])C1=C(O)C(O)=CC=C1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM9396
SMILES (mnx)[CH:1]1=[CH:4][C:13]([C:25](=[N:31][C@@H:16]([CH2:10][OH:34])[C:29](=[O:46])[O:49][CH2:12][C@@H:18]([C:30](=[O:47])[O:48][CH2:11][C@@H:17]([C:28](=[O:44])[OH:45])[N:32]=[C:26]([C:14]2=[C:23]([OH:39])[C:20]([OH:36])=[CH:8][CH:2]=[CH:5]2)[OH:42])[N:33]=[C:27]([C:15]2=[C:24]([OH:40])[C:21]([OH:37])=[CH:9][CH:3]=[CH:6]2)[OH:43])[OH:41])=[C:22]([OH:38])[C:19]([OH:35])=[CH:7]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:143020
chebi:143020
NTWRWGRCGVKQNS-BZSNNMDCSA-M 		N-(2,3-dihydroxybenzoyl)-L-serine trimer

seed.compound:cpd26520
seedM:cpd26520
NTWRWGRCGVKQNS-BZSNNMDCSA-M 		(2,3-dihydroxybenzoylserine)3
N-(2,3-dihydroxybenzoyl)-L-serine trimer

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

kegg.compound:C22185
keggC:C22185
NTWRWGRCGVKQNS-BZSNNMDCSA-N 		N-(2,3-Dihydroxybenzoyl)-L-serine trimer
O-3-{O-3-[N-(2,3-Dihydroxybenzoyl)-L-seryl]-N-(2,3-dihydroxybenzoyl)-L-seryl}-N-(2,3-dihydroxybenzoyl)-L-serine

metacyc.compound:CPD0-2483
metacycM:CPD0-2483
NTWRWGRCGVKQNS-BZSNNMDCSA-M 		N-(2,3-dihydroxybenzoyl)-L-serine trimer
(2,3-dihydroxybenzoylserine)3
O-3-{O-3-[N-(2,3-dihydroxybenzoyl)-L-seryl]-N-(2,3-dihydroxybenzoyl)-L-seryl}-N-(2,3-dihydroxybenzoyl)-L-serine

keggC:M_C22185
seedM:M_cpd26520 		secondary/obsolete/fantasy identifier