Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02124"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(2s,3s)-Trans-2,3-Dihydro-3-Hydroxyanthranilic Acid"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.
Cyclic Alcohols and Derivatives
Organic Compounds
Organooxygen Compounds
Alcohols and Polyols
Cyclic Alcohols and Derivatives
Secondary Alcohols
Polyamines
Enolates
Carboxylic Acids
Monoalkylamines
carboxylic acid derivative
enolate
carboxylic acid
polyamine
primary amine
amine
primary aliphatic amine
organonitrogen compound
logP
-2.4
ALOGPS
logS
-0.38
ALOGPS
Water Solubility
6.54e+01 g/l
ALOGPS
logP
-3.1
ChemAxon
IUPAC Name
(5R,6R)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylic acid
ChemAxon
Traditional IUPAC Name
(5R,6R)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylic acid
ChemAxon
Molecular Weight
155.1513
ChemAxon
Monoisotopic Weight
155.058243159
ChemAxon
SMILES
N[C@H]1[C@H](O)C=CC=C1C(O)=O
ChemAxon
Molecular Formula
C7H9NO3
ChemAxon
InChI
InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,5-6,9H,8H2,(H,10,11)/t5-,6-/m1/s1
ChemAxon
InChIKey
InChIKey=XBTXTLKLSHACSS-PHDIDXHHSA-N
ChemAxon
Polar Surface Area (PSA)
83.55
ChemAxon
Refractivity
40.22
ChemAxon
Polarizability
14.68
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
3.77
ChemAxon
pKa (strongest basic)
9.38
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
60844
PubChem Compound
46936304
PubChem Substance
46505773
ChemSpider
10465779
PDB
HHA
BE0001548
Trans-2,3-dihydro-3-hydroxyanthranilate isomerase
Pseudomonas fluorescens
# 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
Trans-2,3-dihydro-3-hydroxyanthranilate isomerase
Involved in antibiotic biosynthesis activity
Isomerase that catalyzes the condensation of two molecules of trans-2,3-dihydro-3-hydroxyanthranilic acid (DHHA) into the phenazine ring system. The final product is not yet known
phzF
None
6.12
30054.0
Pseudomonas fluorescens
GenBank Gene Database
L48616
GenBank Protein Database
1045018
UniProtKB
Q51792
UniProt Accession
PHZF_PSEFL
EC 5.1.-.-
>Phenazine biosynthesis protein phzF
MHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALI
RIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQP
IPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFH
DMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGV
EIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL
>837 bp
ATGCACAACTACGTCATTATCGACGCCTTTGCCAGCGTCCCGCTGGAAGGCAATCCGGTC
GCGGTGTTCTTTGACGCCGATGATTTACCGCCCGCGCAAATGCAGCGCATCGCCCGAGAA
ATGAACCTCTCGGAGAGCACTTTTGTGCTCAAGCCGCGCAACGGTGGAGATGCGCTGATC
CGGATTTTCACACCGGTCAACGAACTGCCTTTTGCCGGGCACCCGTTGCTGGGTACGGCC
ATTGCCCTGGGAGCACATACCGACAACCACCGGCTGTATCTGGAAACCCAGATGGGCACC
ATCGCCTTTGAACTGGAGCGCCAGAACGGCAGCGTTATCGCCGCCAGCATGGACCAGCCG
ATCCCGACCTGGACGGCCCTGGGGCGTGACGCTGAACTGCTCAAGGCCTTGGGCATCAGT
GATTCGACCTTTCCCATCGAGATCTATCACAACGGCCCGCGCCATGTGTTTGTCGGCCTG
CCGAGCATTGACGCGTTATCGGCCCTGCACCCCGACCACCGTGCACTGTCCAACTTCCAT
GACATGGCGATCAACTGTTTTGCCGGCGCAGGACGACGCTGGCGCAGCCGCATGTTCTCA
CCGGCCTACGGCGTTGTGGAGGATGCGGCCACAGGCTCCGCCGCCGGACCATTGGCGATT
CATCTGGCGCGCCATGGCCAGATTGAGTTTGGCCAGCCAGTCGAGATTTTACAGGGTGTG
GAAATCGGCCGCCCCTCACTGATGTTCGCCAAAGCTGAGGGCCGCGCCGAGCAACTGACG
CGAGTCGAGGTATCAGGTAATGGCGTTACATTTGGACGGGGGACCATCGTGCTATGA
PF02567
PhzC-PhzF
function
catalytic activity
process
physiological process
process
metabolism
process
biosynthesis
"
|
| 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