Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(2S*)-2-Ammonio-3-(1H-indol-3-yl)propionate pyridine-2,4-dicarboxylic acid ethanol solvate.

ABSTRACT: In the title compound, C(11)H(12)N(2)O(2)·C(7)H(5)NO(4)·C(2)H(6)O, the (2S*)-2-amino-3-(1H-indol-3-yl)propionic acid is present in the zwitterionic form. In the crystal structure, 2-amino-3-(1H-indol-3-yl)propionic acid mol-ecules and pyridine-2,4-dicarb-oxylic acid mol-ecules are linked through strong inter-molecular O-H⋯O and N-H⋯O hydrogen bonds, forming layers parallel to (100). The layers are linked through the ethanol mol-ecules via somewhat weaker inter-molecular O-H⋯O and N-H⋯O hydrogen bonds, forming thus a three-dimensional network. Weak C-H⋯O and N-H⋯N hydrogen bonding and π-π inter-actions between the aromatic rings are also present.

SUBMITTER: Di K

PROVIDER: S-EPMC2979096 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(2S*)-2-Ammonio-3-(1H-indol-3-yl)propionate pyridine-2,4-dicarboxylic acid ethanol solvate.

Di Kai K

Acta crystallographica. Section E, Structure reports online 20100421 Pt 5

In the title compound, C(11)H(12)N(2)O(2)·C(7)H(5)NO(4)·C(2)H(6)O, the (2S*)-2-amino-3-(1H-indol-3-yl)propionic acid is present in the zwitterionic form. In the crystal structure, 2-amino-3-(1H-indol-3-yl)propionic acid mol-ecules and pyridine-2,4-dicarb-oxylic acid mol-ecules are linked through strong inter-molecular O-H⋯O and N-H⋯O hydrogen bonds, forming layers parallel to (100). The layers are linked through the ethanol mol-ecules via somewhat weaker inter-molecular O-H⋯O and N-H⋯O hydrogen ...[more]

PMID: 21579175

Similar Datasets

2-Hydr-oxy-(2-methyl-1H-indol-3-ylmethyl-idene)benzohydrazide ethanol solvate.

Project description:In the title compound, C(17)H(15)N(3)O(2)·C(2)H(6)O, Schiff base molecules are linked by a hydr-oxy-amido hydrogen bond into a helical chain running along the b axis. This chain is consolidated by two other hydrogen bonds; the ethanol solvent mol-ecule is a hydrogen-bond donor to the amide group and a hydrogen-bond acceptor for the indolyl NH group of an adjacent Schiff base mol-ecule.

| S-EPMC2961492 | biostudies-literature

Pyridine 2,4-Dicarboxylic Acid Suppresses Tomato Seedling Growth.

Project description:Pyridine 2,4-dicarboxylic acid is a structural analog of 2-oxoglutarate and is known to inhibit 2-oxoglutare-dependent dioxygenases. The effect of this inhibitor in tomato seedlings grown in MS media supplied with various concentrations of PDCA was investigated, resulting in shorter roots and hypocotyls in a dose-dependent manner. The partial inhibition of growth in roots was more drastic compared to hypocotyls and was attributed to a decrease in the elongation of root and hypocotyl cells. Concentrations of 100 and 250 μM of PDCA decreased hydroxyproline content in roots while only the 250 μM treatment reduced the hydroxyproline content in shoots. Seedlings treated with 100 μM PDCA exhibited enhanced growth of hypocotyl and cotyledon cells and higher hydroxyproline content resulting in cotyledons with greater surface area. However, no alterations in hypocotyl length were observed. Prolyl 4 hydroxylases (P4Hs) are involved in the O-glycosylation of AGPs and were also highly expressed during seedling growth. Moreover PDCA induced a decrease in the accumulation of HRGPs and particularly in AGPs-bound epitopes in a dose dependent-manner while more drastic reduction were observed in roots compared to shoots. In addition, bulged root epidermal cells were observed at the high concentration of 250 μM which is characteristic of root tissues with glycosylation defects. These results indicate that PDCA induced pleiotropic effects during seedling growth while further studies are required to better investigate the physiological significance of this 2-oxoglutarate analog. This pharmacological approach might be used as a tool to better understand the physiological significance of HRGPs and probably P4Hs in various growth and developmental programs in plants.

| S-EPMC5797587 | biostudies-literature

(5-Ammonio-pent-yl)triphenyl-phospho-nium dibromide ethanol solvate.

Project description:The alkyl-ammonium chain of the dication in the title mitochondrially targeted (5-ammonio-pent-yl)triphenyl--phos-pho-nium dibromide ethanol solvate, C(23)H(28)NP(2+)·2Br(-)·C(2)H(6)O, is almost planar (r.m.s deviation = 0.0716 Å for all non-H atoms) and in the extended form, maximizing the P⋯N distance [7.716 (2) Å]. The ions and solvent are linked within the crystal by N-H⋯Br, N-H⋯O and O-H⋯Br hydrogen-bonding inter-actions, forming C(3) (2)(6) chains along the b axis, with secondary C-H⋯Br and C-H⋯O inter-actions cross-linking the chains.

| S-EPMC2983624 | biostudies-literature

A cocrystal of pyridine-2,4-dicarboxylic acid and serine.

Project description:The title compound, pyridine-2,4-dicarboxylic acid-S-serine (1/1), C(7)H(5)NO(4)·C(3)H(7)NO(3), has serine in its zwitterionic form. The crystal structure is stabilized by an extensive series of inter-molecular O-H⋯O, N-H⋯N and N-H⋯O hydrogen bonds, forming a three-dimensional network.

| S-EPMC2915001 | biostudies-literature

2,4-Diamino-6-methyl-1,3,5-triazine ethanol solvate.

Project description:The crystal structure of the title compound, C(4)H(7)N(5)·C(2)H(6)O, is determined by extensive hydrogen bonding. A sequence of dimeric associations, formed by N-H(amino)⋯N(ring), connects the triazine rings into a mol-ecular tape. Mol-ecules are linked into a supra-molecular structure by N-H⋯O and O-H⋯O hydrogen bonds. The asymmetric unit consists of two formula units.

| S-EPMC2960281 | biostudies-literature

Methyl 3-[(1-butyl-1H-indol-3-yl)carbonyl-amino]propionate.

Project description:In the title mol-ecule, C(17)H(22)N(2)O(3), the mean plane of the terminal (C=O)OMe fragment and the indole plane form a dihedral angle of 78.94 (3)°. Inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains extended along the c axis. The crystal packing exhibits π-π inter-actions, indicated by the short distance of 3.472 (2) Å between the centroids of the five-membered heterocycles of neighbouring mol-ecules.

| S-EPMC2969888 | biostudies-literature

(2,4-Dimethoxy-benzyl-idene)-2-hydroxy-benzohydrazide ethanol solvate.

Project description:In the planar title mol-ecule, C(16)H(16)N(2)O(4)·C(2)H(6)O, the planar Schiff base molecule is linked to the ethanol solvent mol-ecule by a hydr-oxy-amide hydrogen bond. The hydr-oxy group of the ethanol mol-ecule is a hydrogen-bond donor to the double-bonded N atom of an adjacent Sciff base, pairs of interactions taking place across a center of symmetry and giving rise to a hydrogen-bonded dimer.

| S-EPMC2961356 | biostudies-literature

4-(4-Chloro-phen-yl)-2,6-bis-(1H-indol-3-yl)-1,4-dihydro-pyridine-3,5-dicarbo-nitrile ethanol monosolvate.

Project description:In the title compound, C(29)H(18)ClN(5)·C(2)H(6)O, the dihydro-pyridine ring adopts a strongly flattened envelope conformation, with a maximum deviation of 0.139 (2) Å from its best plane for the Csp(3) atom. The dihedral angles between the dihydro-pyridine ring plane and the two indole rings in positions 2 and 6 are 34.28 (5) and 40.50 (6)°, respectively. In turn, the benzene ring and the dihydro-pyridine ring are oriented at a dihedral angle of 74.69 (6)°. An intra-molecular C-H⋯Cl hydrogen bond occurs. In the crystal, mol-ecules are linked by N-H⋯N, N-H⋯O and O-H⋯N hydrogen bonds into layers parallel to (001). There are short C-H⋯Cl contacts between mol-ecules in neighboring layers.

| S-EPMC3344446 | biostudies-literature

N'-(2,4-Dimethoxy-benzyl-idene)-3,4,5-trihydroxy-benzohydrazide ethanol solvate.

Project description:The title compound, C(16)H(16)N(2)O(6)·C(2)H(5)OH, was synthesized from 3,4,5-trihydroxy-benzoyl-hydrazide and 2,4-dimethoxy-benzaldehyde in ethanol. The compound is not planar, with the two aromatic planes of the two aromatic rings twisted by 15.6 (1)°. The hydr-oxy groups are involved in both intra-molecular O-H⋯O and inter-molecular O-H⋯N and O-H⋯O hydrogen bonds and a C-H⋯O interaction also occurs.

| S-EPMC2969598 | biostudies-literature

(2S)-3-(1H-Indol-3-yl)-2-(4-methyl-benzene-sulfonamido)-propionic acid monohydrate.

Project description:In the title compound, C(18)H(18)N(2)O(4)S·H(2)O, the indole and toluene ring systems are oriented at a dihedral angle of 84.51 (9)°. In the crystal, the components are linked by N-H⋯O, O-H⋯O, C-H⋯O and N-H⋯π inter-actions. These include a short link from the α-C atom of the amino acid fragment.

| S-EPMC3200826 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data