DBS

2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID

Created: 2002-03-20
Last modified:  2021-03-13

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count1
Bond Count28
Aromatic Bond Count6
2D diagram of DBS
Toggle HydrogenToggle Labels

Chemical Component Summary

Name2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID
Synonyms2,3,-DIHYDROXYBENZOYLSERINE
Systematic Name (OpenEye OEToolkits)(2S)-2-[(2,3-dihydroxyphenyl)carbonylamino]-3-hydroxy-propanoic acid
FormulaC10 H11 N O6
Molecular Weight241.197
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C(NC(=O)c1cccc(O)c1O)CO
SMILESCACTVS3.341OC[CH](NC(=O)c1cccc(O)c1O)C(O)=O
SMILESOpenEye OEToolkits1.5.0c1cc(c(c(c1)O)O)C(=O)NC(CO)C(=O)O
Canonical SMILESCACTVS3.341 OC[C@H](NC(=O)c1cccc(O)c1O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O
InChIInChI1.03 InChI=1S/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)/t6-/m0/s1
InChIKeyInChI1.03 VDTYHTVHFIIEIL-LURJTMIESA-N

Drug Info: DrugBank

DrugBank IDDB02710 
Name2,3,-Dihydroxybenzoylserine
Groups experimental
Synonyms2,3,-Dihydroxybenzoylserine
CAS number127658-43-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Neutrophil gelatinase-associated lipocalinMPLGLLWLGLALLGALHAQAQDSTSDLIPAPPLSKVPLQQNFQDNQFQGK...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 151483
ChEBI CHEBI:17455