Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03662"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Vitamin B6 Complexed with 2-Amino-Pentanoic Acid"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
Alpha Amino Acids and Derivatives
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
Amino Fatty Acids
Organic Phosphoric Acids
Pyridines and Derivatives
Organophosphate Esters
Polyols
Enolates
Dialkylamines
Carboxylic Acids
Polyamines
pyridine
phosphoric acid ester
organic phosphate
polyol
carboxylic acid
polyamine
secondary amine
enolate
secondary aliphatic amine
amine
organonitrogen compound
logP
-1.1
ALOGPS
logS
-2.5
ALOGPS
Water Solubility
1.00e+00 g/l
ALOGPS
logP
-3.2
ChemAxon
IUPAC Name
(2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
ChemAxon
Traditional IUPAC Name
(2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
ChemAxon
Molecular Weight
348.2888
ChemAxon
Monoisotopic Weight
348.108637548
ChemAxon
SMILES
CCC[C@H](NCC1=C(O)C(C)=NC=C1COP(O)(O)=O)C(O)=O
ChemAxon
Molecular Formula
C13H21N2O7P
ChemAxon
InChI
InChI=1S/C13H21N2O7P/c1-3-4-11(13(17)18)15-6-10-9(7-22-23(19,20)21)5-14-8(2)12(10)16/h5,11,15-16H,3-4,6-7H2,1-2H3,(H,17,18)(H2,19,20,21)/t11-/m0/s1
ChemAxon
InChIKey
InChIKey=YYAMSLLSQINIQO-NSHDSACASA-N
ChemAxon
Polar Surface Area (PSA)
149.21
ChemAxon
Refractivity
81.11
ChemAxon
Polarizability
33.03
ChemAxon
Rotatable Bond Count
9
ChemAxon
H Bond Acceptor Count
8
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
1.14
ChemAxon
pKa (strongest basic)
10.08
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
444861
PubChem Substance
46508757
PDB
PY5
BE0001217
Aspartate aminotransferase
Escherichia coli (strain K12)
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
unknown
Aspartate aminotransferase
Amino acid transport and metabolism
L-aspartate + 2-oxoglutarate = oxaloacetate + L-glutamate
aspC
Cytoplasm
None
5.5
43574.0
Escherichia coli (strain K12)
GenBank Gene Database
X03629
GenBank Protein Database
41011
UniProtKB
P00509
UniProt Accession
AAT_ECOLI
ASPAT
EC 2.6.1.1
Transaminase A
>Aspartate aminotransferase
MFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVKKAEQYLLENE
TTKNYLGIDGIPEFGRCTQELLFGKGSALINDKRARTAQTPGGTGALRVAADFLAKNTSV
KRVWVSNPSWPNHKSVFNSAGLEVREYAYYDAENHTLDFDALINSLNEAQAGDVVLFHGC
CHNPTGIDPTLEQWQTLAQLSVEKGWLPLFDFAYQGFARGLEEDAEGLRAFAAMHKELIV
ASSYSKNFGLYNERVGACTLVAADSETVDRAFSQMKAAIRANYSNPPAHGASVVATILSN
DALRAIWEQELTDMRQRIQRMRQLFVNTLQEKGANRDFSFIIKQNGMFSFSGLTKEQVLR
LREEFGVYAVASGRVNVAGMTPDNMAPLCEAIVAVL
>1191 bp
ATGTTTGAGAACATTACCGCCGCTCCTGCCGACCCGATTCTGGGCCTGGCCGATCTGTTT
CGTGCCGATGAACGTCCCGGCAAAATTAACCTCGGGATTGGTGTCTATAAAGATGAGACG
GGCAAAACCCCGGTACTGACCAGCGTGAAAAAGGCTGAACAGTATCTGCTCGAAAATGAA
ACCACCAAAAATTACCTCGGCATTGACGGCATCCCTGAATTTGGTCGCTGCACTCAGGAA
CTGCTGTTTGGTAAAGGTAGCGCCCTGATCAATGACAAACGTGCTCGCACGGCACAGACT
CCGGGGGGCACTGGCGCACTACGCGTGGCTGCCGATTTCCTGGCAAAAAATACCAGCGTT
AAGCGTGTGTGGGTGAGCAACCCAAGCTGGCCGAACCATAAGAGCGTCTTTAACTCTGCA
GGTCTGGAAGTTCGTGAATACGCTTATTATGATGCGGAAAATCACACTCTTGACTTCGAT
GCACTGATTAACAGCCTGAATGAAGCTCAGGCTGGCGACGTAGTGCTGTTCCATGGCTGC
TGCCATAACCCAACCGGTATCGACCCTACGCTGGAACAATGGCAAACACTGGCACAACTC
TCCGTTGAGAAAGGCTGGTTACCGCTGTTTGACTTCGCTTACCAGGGTTTTGCCCGTGGT
CTGGAAGAAGATGCTGAAGGACTGCGCGCTTTCGCGGCTATGCATAAAGAGCTGATTGTT
GCCAGTTCCTACTCTAAAAACTTTGGCCTGTACAACGAGCGTGTTGGCGCTTGTACTCTG
GTTGCTGCCGACAGTGAAACCGTTGATCGCGCATTCAGCCAAATGAAAGCGGCGATTCGC
GCTAACTACTCTAACCCACCAGCACACGGCGCTTCTGTTGTTGCCACCATCCTGAGCAAC
GATGCGTTACGTGCGATTTGGGAACAAGAGCTGACTGATATGCGCCAGCGTATTCAGCGT
ATGCGTCAGTTGTTCGTCAATACGCTGCAGGAAAAAGGCGCAAACCGCGACTTCAGCTTT
ATCATCAAACAGAACGGCATGTTCTCCTTCAGTGGCCTGACAAAAGAACAAGTGCTGCGT
CTGCGCGAAGAGTTTGGCGTATATGCGGTTGCTTCTGGTCGCGTAAATGTGGCCGGGATG
ACACCAGATAACATGGCTCCGCTGTGCGAAGCGATTGTGGCAGTGCTGTAA
PF00155
Aminotran_1_2
function
transferase activity
function
transferase activity, transferring nitrogenous groups
function
transaminase activity
function
catalytic activity
process
biosynthesis
process
physiological process
process
metabolism
process
cellular metabolism
process
amino acid metabolism
process
amino acid and derivative metabolism
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object