Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Cyclo-linopeptide B methanol tris-olvate.

ABSTRACT: The title compound, C(56)H(83)N(9)O(9)S·3CH(3)OH, is a methanol tris-olvate of the cyclo-linopeptide cyclo(Met(1)-Leu(2)-Ile(3)-Pro(4)-Pro(5)-Phe(6)-Phe(7)-Val(8)-Ile(9)) (henceforth referred to as CLP-B), which was isolated from flaxseed oil. All the amino acid residues are in an l-configuration based on the CORN rule. The cyclic nona-peptide exhibits eight trans peptide bonds and one cis peptide bond observed between the two proline residues. The conformation is stabilized by an ?-turn and two consecutive ?-turns each containing a N-H?O hydrogen bond between the carbonyl group O atom of the first residue and the amide group H atom of the fourth (?-turn) or the third residue (?-turns), repectively. In the crystal, the components of the structure are linked by N-H?O and O-H?O hydrogen bonds into chains parallel to the a axis.

SUBMITTER: Schatte G

PROVIDER: S-EPMC3254409 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Cyclo-linopeptide B methanol tris-olvate.

Schatte Gabriele G Labiuk Shaunivan S Li Bonnie B Burnett Peta-Gaye PG Reaney Martin M Grochulski Pawel P Fodje Michel M Yang Jian J Sammynaiken Ramaswami R

Acta crystallographica. Section E, Structure reports online 20111207 Pt 1

The title compound, C(56)H(83)N(9)O(9)S·3CH(3)OH, is a methanol tris-olvate of the cyclo-linopeptide cyclo(Met(1)-Leu(2)-Ile(3)-Pro(4)-Pro(5)-Phe(6)-Phe(7)-Val(8)-Ile(9)) (henceforth referred to as CLP-B), which was isolated from flaxseed oil. All the amino acid residues are in an l-configuration based on the CORN rule. The cyclic nona-peptide exhibits eight trans peptide bonds and one cis peptide bond observed between the two proline residues. The conformation is stabilized by an α-turn and two ...[more]

PMID: 22259553

Similar Datasets

l-Tryptophan 4-nitro-phenol tris-olvate.

Project description:The title compound, C(11)H(12)N(2)O(2)·3C(6)H(5)NO(3), comprises a zwitterionic amino acid formed by two nearly planar groups: (i) the indole ring and Cβ, and (ii) the carboxyl group, Cα, as well as the amine N atom, with r.m.s. deviations of 0.0084 and 0.0038 Å, respectively. The angle between these idealized planes is 39.47 (9)°. The amine group of the amino acid is in a syn (-sc) arrangement relative to the ring system. The overall crystal structure results from the packing of sheets parallel to the (001) planes. These sheets are formed by a pair of screw axis related parallel networks bound by hydrogen-bond and π-π stacking interactions. The intermolecular cohesion of all organic residues in each of the latter two-dimensional networks is achieved via strong hydrogen bonding, nitro-π and π-π stacking interactions.

| S-EPMC3297960 | biostudies-literature

[Bis(2,6-diiso-propyl-phen-yl) phosphato-κ<i>O</i>]pentakis-(methanol-κ<i>O</i>)manganese bis-(2,6-diiso-propyl-phen-yl) phosphate methanol tris-olvate.

Project description:The title compound, [Mn(C24H34O4P)(CH3OH)5](C24H34O4P)·3CH3OH, was formed in the reaction between a hydrate of a manganese(II) salt [either Mn(NO3)2(H2O)6 or MnCl2(H2O)4] with a methanol solvate of lithium bis-(2,6-diiso-propyl-phen-yl) phosphate, {Li[OOP(O-2,6- i Pr2C6H3)2]·(CH4O)3}·CH4O, in methanol. The structure has monoclinic (Cc) symmetry at 150 K. The complex consists of an [Mn{OOP(O-2,6- i Pr2C6H3)2}(CH3OH)5]+ cation, an [OOP(O-2,6- i Pr2C6H3)2]- anion and three non-coordinating methanol mol-ecules. The anion demonstrates disorder of an isopropyl group [occupancy ratio is 0.57 (4):0.43 (4)]. The di-aryl-phosphate ligand in the cation exhibits a κ1 O terminal coordination mode. The Mn atom is in a nearly unperturbed octa-hedral environment. The [Mn{OOP(O-2,6- i Pr2C6H3)2}(CH3OH)5]+ cation exhibits one intra-molecular O-H⋯O bond, and is coordinated via two inter-molecular O-H⋯O hydrogen bonds to the [OOP(O-2,6- i Pr2C6H3)2]- anion. The cations, anions and non-coordinating methanol mol-ecules are linked into infinite chains along the c-axis direction via 0-H⋯O hydrogen bonding. The complex is of inter-est as a possible inhibitor for the thermal decomposition of polydi-methyl-siloxane. The crystal studied was refined as an inversion twin with a domain ratio of 0.47 (3):0.53 (3).

| S-EPMC6176441 | biostudies-literature

Cyclo-linopeptide A methanol solvate.

Project description:Crystals of the title compound, C(57)H(85)N(9)O(9)·CH(4)O, the methanol solvate of a nine peptide polypeptide, cyclo-(Pro-Pro-Phe-Phe-Leu-Ile-Ile-Leu-Val), were obtained after separation of the cyclic peptide from flax oil. The cyclo-linopeptide A (CLP-A) mol-ecules are linked in chains along the a axis by N-H?O hydrogen bonds. Each methanol O atom is hydrogen bonded to one O atom and two N-H groups in the same CLP-A mol-ecule. There are a total of eight hydrogen bonds in each CLP-A-MeOH unit.

| S-EPMC2977324 | biostudies-literature

Effect of acute embryonic exposures to tris(4-chlorophenyl)methane and tris(4-chlorophenyl)methanol in the zebrafish

Project description:Tris(4-chlorophenyl)methane (TCPM) and tris(4-chlorophenyl)methanol (TCPMOH) are two marine pollutants of emerging concern, found in marine mammals and coastal bird populations. Here, we assess the response to these compounds due to acute exposures in zebrafish embryos (from 96-100 hours post fertilization).

2021-09-09 | GSE165920 | GEO

Bis[1,3-bis-(benzimidazol-2-yl)-2-oxa-propane]cobalt(II) dipicrate acetonitrile tris-olvate.

Project description:In the title compound, [Co(C(16)H(14)N(4)O)(2)](C(6)H(2)N(3)O(7))(2)·3CH(3)CN, the Co(II) ion is located on a crystallographic twofold rotation axis and is coordinated in a slightly distorted tetra-hedral environment by four N atoms from the two bidentate N-heterocycles. The crystal structure is stabilized by inter-molecular N-H?O and N-H?N hydrogen bonds. One of the acetonitrile solvent mol-ecules also lies on a twofold rotation axis.

| S-EPMC2977374 | biostudies-literature

Tris(?-cyclo-penta-dien-yl)hafnium(III).

Project description:In the crystal structure of the title compound, [Hf(C(5)H(5))(3)], three cyclo-penta-dienyl ligands surround the Hf(III) atom in a trigonal-planar geometry. The mol-ecule lies on a sixfold inversion axis.

| S-EPMC3089176 | biostudies-literature

N (1)-(Thio-phen-2-ylmeth-yl)-N (3),N (3)-bis-[3-(thio-phen-2-yl-methyl-ammonio)-prop-yl]propane-1,3-di-ammonium hexa-fluorido-silicate methanol tris-olvate.

Project description:In the title compound, C24H40N4S3 (4+)·2SiF6 (2-)·3CH3OH, the central tertiary amine function is protonated and is connected to three thio-phen-2-yl-methyl-amino-n-propyl groups, forming the arms of a T-shaped cation that has two pockets. Each arm contains one protonated secondary amine function, and each pocket is occupied by one SiF6 (2-) anion bonded via two N-H?F inter-actions with the protonated amine group on the middle arm, while two methanol solvent mol-ecules are N-H?O hydrogen-bonded with the other secondary protonated amine groups on the side arms. Weak O-H?O and O-H?F hydrogen bonds between the solvent mol-ecules and between the solvent mol-ecules and the anions, respectively, are also observed. All three thio-phene groups in the arms are disordered over two sets of sites, with occupancy ratios of 0.828?(3):0.172?(3), 0.910?(2):0.090?(2) and 0.890?(3):0.110?(3).

| S-EPMC3885022 | biostudies-literature

Tris(4-acetamido-phenoxy-methyl)methanol 0.7-hydrate.

Project description:The asymmetric unit of the title compound, C(28)H(31)N(3)O(7)·0.7H(2)O, contains a mol-ecule of tris-(4-acetamido-phenoxy-meth-yl)methanol and 0.7 of a water mol-ecule. An extensive hydrogen-bonding network includes inter-actions between all components of the crystal structure.

| S-EPMC2959728 | biostudies-literature

Crystal structure of bis-[(phenyl-methanamine-κN)(phthalocyaninato-κ(4) N)zinc] phenyl-methan-amine tris-olvate.

Project description:The asymmetric unit of the title compound, 2[Zn(C32H16N8)(C7H9N)]·3C7H9N, comprises two independent complex mol-ecules and three benzyl-amine solvent mol-ecules. Each complex mol-ecule features a penta-coordinated Zn(2+) ion within a square-pyramidal geometry, whereby the N5 donor set is defined by four atoms of the phthalocyaninate dianion (PC) and an N-bound benzyl-amine mol-ecule; it is the relative orientations of the latter that differentiate between the independent complex mol-ecules. The uncoordinated benzyl-amine mol-ecules display different conformations in the structure, with syn-Car-Car-Cm-N (ar = aromatic, m = methyl-ene) torsion angles spanning the range -28.7 (10) to 35.1 (14)°. In the crystal, N-H⋯N and N-H⋯π inter-actions lead to supra-molecular layers in the ab plane. The layers have a zigzag topology, have the coordinating and non-coordinating benzyl-amine mol-ecules directed to the inside, and present the essentially flat PC resides to the outside. This arrangement enables adjacent layers to associate via π-π inter-actions [inter-centroid distance between pyrrolyl and fused-benzene rings = 3.593 (2) Å] so that a three-dimensional architecture is formed.

| S-EPMC4555378 | biostudies-literature

Effect of developmental (24-100 hpf) embryonic exposures to tris(4-chlorophenyl)methane and tris(4-chlorophenyl)methanol in the zebrafish

Project description:Tris(4-chlorophenyl)methane (TCPM) and tris(4-chlorophenyl)methanol (TCPMOH) are two marine pollutants of emerging concern, found in marine mammals and coastal bird populations. Here, we assess the response to these compounds due to developmental (24-100 hourrs post fertilization) exposures in zebrafish embryos

2022-12-31 | GSE198106 | GEO

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