Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08272"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.
Phenylpropanoic Acids
Organic Compounds
Phenylpropanoids and Polyketides
Phenylpropanoic Acids
Alpha Amino Acids and Derivatives
Naphthalenes
Carbocyclic Fatty Acids
Branched Fatty Acids
Amino Fatty Acids
Dicarboxylic Acids and Derivatives
Benzene and Substituted Derivatives
Polyols
Carboxylic Acids
Enolates
Polyamines
Monoalkylamines
benzene
dicarboxylic acid derivative
polyol
carboxylic acid derivative
polyamine
carboxylic acid
enolate
amine
primary aliphatic amine
primary amine
organonitrogen compound
logP
-0.55
ALOGPS
logS
-3.5
ALOGPS
Water Solubility
9.01e-02 g/l
ALOGPS
logP
-0.14
ChemAxon
IUPAC Name
(2R,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid
ChemAxon
Traditional IUPAC Name
(2R,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid
ChemAxon
Molecular Weight
287.3105
ChemAxon
Monoisotopic Weight
287.115758037
ChemAxon
SMILES
[H][C@@](N)(C[C@]([H])(CC1=CC2=CC=CC=C2C=C1)C(O)=O)C(O)=O
ChemAxon
Molecular Formula
C16H17NO4
ChemAxon
InChI
InChI=1S/C16H17NO4/c17-14(16(20)21)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9,17H2,(H,18,19)(H,20,21)/t13-,14+/m0/s1
ChemAxon
InChIKey
InChIKey=YDWIUFASTTZKNI-UONOGXRCSA-N
ChemAxon
Polar Surface Area (PSA)
100.62
ChemAxon
Refractivity
77.01
ChemAxon
Polarizability
30
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
2.19
ChemAxon
pKa (strongest basic)
9.53
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
9817372
PubChem Substance
99444743
ChemSpider
7993122
PDB
NHL
BE0004263
Glutamate racemase
Streptococcus pyogenes serotype M1
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
Glutamate racemase
Cell wall/membrane/envelope biogenesis
Provides the (R)-glutamate required for cell wall biosynthesis (By similarity)
murI
None
8.57
29015.8
Streptococcus pyogenes serotype M1
GeneCards
murI
GenBank Gene Database
AE004092
GenBank Protein Database
13621326
UniProtKB
Q9A1B7
UniProt Accession
MURI_STRP1
>Glutamate racemase
MDTRPIGFLDSGVGGLTVVCELIRQLPHEKIVYIGDSARAPYGPRPKKQIKEYTWELVNF
LLTQNVKMIVFACNTATAVAWEEVKAALDIPVLGVVLPGASAAIKSTTKGQVGVIGTPMT
VASDIYRKKIQLLAPSIQVRSLACPKFVPIVESNEMCSSIAKKIVYDSLAPLVGKIDTLV
LGCTHYPLLRPIIQNVMGPSVKLIDSGAECVRDISVLLNYFDINGNYHQKAVEHRFFTTA
NPEIFQEIASIWLKQKINVEHVTL
>1356 bp
ATGACTGAAAATGAACAAATTTTTTGGAACAGGGTCTTGGAATTAGCTCAGAGTCAATTA
AAACAGGCAACTTATGAATTTTTTGTTCATGATGCCCGTCTATTAAAGGTCGATAAGCAT
ATTGCAACTATTTACTTAGATCAAATGAAAGAGCTCTTTTGGGAAAAAAATCTTAAAGAT
GTTATTCTTACTGCTGGTTTTGAAGTTTATAACGCTCAAATTTCTGTTGACTATGTTTTC
GAAGAAGACCTAATGATTGAGCAAAATCAGACCAAAATCAACCAAAAACCTAAGCAGCAA
GCCTTAAATTCTTTGCCTACTGTTACTTCAGATTTAAACTCGAAATATAGTTTTGAAAAC
TTTATTCAAGGAGATGAAAATCGTTGGGCTGTTGCTGCTTCAATAGCAGTAGCTAATACT
CCTGGAACTACCTATAATCCTTTGTTTATTTGGGGTGGCCCTGGGCTTGGAAAAACCCAT
TTATTAAATGCTATTGGTAATTCTGTACTATTAGAAAATCCAAATGCTCGAATTAAATAT
ATCACAGCTGAAAACTTTATTAATGAGTTTGTTATCCATATTCGCCTTGATACCATGGAT
GAATTGAAAGAAAAATTTCGTAATTTAGATTTACTCCTTATTGATGATATCCAATCTTTA
GCTAAAAAAACGCTCTCTGGAACACAAGAAGAGTTCTTTAATACTTTTAATGCACTTCAT
AATAATAACAAACAAATTGTCCTAACAAGCGACCGTACACCAGATCATCTCAATGATTTA
GAAGATCGATTAGTTACTCGTTTTAAATGGGGATTAACAGTCAATATCACACCTCCTGAT
TTTGAAACACGAGTGGCTATTTTGACAAATAAAATTCAAGAATATAACTTTATTTTTCCT
CAAGATACCATTGAGTATTTGGCTGGTCAATTTGATTCTAATGTCAGAGATTTAGAAGGT
GCCTTAAAAGATATTAGTCTGGTTGCTAATTTCAAACAAATTGACACGATTACTGTTGAC
ATTGCTGCCGAAGCTATTCGCGCCAGAAAGCAAGATGGACCTAAAATGACAGTTATTCCC
ATCGAAGAAATTCAAGCGCAAGTTGGAAAATTTTACGGTGTTACCGTCAAAGAAATTAAA
GCTACTAAACGAACACAAAATATTGTTTTAGCAAGACAAGTAGCTATGTTTTTAGCACGT
GAAATGACAGATAACAGTCTTCCTAAAATTGGAAAAGAATTTGGTGGCAGAGACCATTCA
ACAGTACTCCATGCCTATAATAAAATCAAAAACATGATCAGCCAGGACGAAAGCCTTAGG
ATCGAAATTGAAACCATAAAAAACAAAATTAAATAA
PF01177
Asp_Glu_race
function
isomerase activity
function
racemase and epimerase activity
function
racemase and epimerase activity, acting on amino acids and derivatives
function
glutamate racemase activity
function
catalytic activity
process
cellular carbohydrate metabolism
process
peptidoglycan metabolism
process
peptidoglycan biosynthesis
process
physiological process
process
metabolism
process
macromolecule metabolism
process
carbohydrate metabolism
"
|
| rdfs:label |
"(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object