Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03556"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2-(2-{2-[2-(2-{2-[2-(2-Ethoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethanol, Polyethyleneglycol Peg400"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the polyamines. These are compounds containing more than one amine group.
Polyamines
Organic Compounds
Organonitrogen Compounds
Amines
Polyamines
Primary Alcohols
Ethers
alcohol
logP
-0.38
ALOGPS
logS
-3.2
ALOGPS
Water Solubility
2.32e-01 g/l
ALOGPS
logP
-0.54
ChemAxon
IUPAC Name
3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol
ChemAxon
Traditional IUPAC Name
3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol
ChemAxon
Molecular Weight
398.4889
ChemAxon
Monoisotopic Weight
398.251582814
ChemAxon
SMILES
CCOCCOCCOCCOCCOCCOCCOCCOCCO
ChemAxon
Molecular Formula
C18H38O9
ChemAxon
InChI
InChI=1S/C18H38O9/c1-2-20-5-6-22-9-10-24-13-14-26-17-18-27-16-15-25-12-11-23-8-7-21-4-3-19/h19H,2-18H2,1H3
ChemAxon
InChIKey
InChIKey=CUDPPTPIUWYGFI-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
94.07
ChemAxon
Refractivity
101.36
ChemAxon
Polarizability
47.77
ChemAxon
Rotatable Bond Count
24
ChemAxon
H Bond Acceptor Count
9
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
15.12
ChemAxon
pKa (strongest basic)
-2.7
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
657096
PubChem Substance
46506675
PDB
PE5
BE0003074
Carbonyl reductase [NADPH] 1
Human
unknown
Carbonyl reductase [NADPH] 1
Involved in oxidoreductase activity
Catalyzes the reduction of a wide variety of carbonyl compounds including the antitumor anthracycline antibiotics. Can convert prostaglandin E2 to prostaglandin F2-alpha
CBR1
Cytoplasm
None
8.49
30375.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:1548
GenAtlas
CBR1
GenBank Gene Database
J04056
UniProtKB
P16152
UniProt Accession
CBR1_HUMAN
15-hydroxyprostaglandin dehydrogenase [NADP+]
EC 1.1.1.184
EC 1.1.1.189
EC 1.1.1.197
NADPH-dependent carbonyl reductase 1
Prostaglandin 9-ketoreductase
Prostaglandin-E(2) 9-reductase
>Carbonyl reductase [NADPH] 1
MSSGIHVALVTGGNKGIGLAIVRDLCRLFSGDVVLTARDVTRGQAAVQQLQAEGLSPRFH
QLDIDDLQSIRALRDFLRKEYGGLDVLVNNAGIAFKVADPTPFHIQAEVTMKTNFFGTRD
VCTELLPLIKPQGRVVNVSSIMSVRALKSCSPELQQKFRSETITEEELVGLMNKFVEDTK
KGVHQKEGWPSSAYGVTKIGVTVLSRIHARKLSEQRKGDKILLNACCPGWVRTDMAGPKA
TKSPEEGAETPVYLALLPPDAEGPHGQFVSEKRVEQW
>834 bp
ATGTCGTCCGGCATCCATGTAGCGCTGGTGACTGGAGGCAACAAGGGCATCGGCTTGGCC
ATCGTGCGCGACCTGTGCCGGCTGTTCTCGGGGGACGTGGTGCTCACGGCGCGGGACGTG
ACGCGGGGCCAGGCGGCCGTACAGCAGCTGCAGGCGGAGGGCCTGAGCCCGCGCTTCCAC
CAGCTGGACATCGACGATCTGCAGAGCATCCGCGCCCTGCGCGACTTCCTGCGCAAGGAG
TACGGGGGCCTGGACGTGCTGGTCAACAACGCGGGCATCGCCTTCAAGGTTGCTGATCCC
ACACCCTTTCATATTCAAGCTGAAGTGACGATGAAAACAAATTTCTTTGGTACCCGAGAT
GTGTGCACAGAATTACTCCCTCTAATAAAACCCCAAGGGAGAGTGGTGAACGTATCTAGC
ATCATGAGCGTCAGAGCCCTTAAAAGCTGCAGCCCAGAGCTGCAGCAGAAGTTCCGCAGT
GAGACCATCACTGAGGAGGAGCTGGTGGGGCTCATGAACAAGTTTGTGGAGGATACAAAG
AAGGGAGTGCACCAGAAGGAGGGCTGGCCCAGCAGCGCATACGGGGTGACGAAGATTGGC
GTCACCGTTCTGTCCAGGATCCACGCCAGGAAACTGAGTGAGCAGAGGAAAGGGGACAAG
ATCCTCCTGAATGCCTGCTGCCCAGGGTGGGTGAGAACTGACATGGCGGGACCCAAGGCC
ACCAAGAGCCCAGAAGAAGGTGCAGAGACCCCTGTGTACTTGGCCCTTTTGCCCCCAGAT
GCTGAGGGTCCCCATGGACAATTTGTTTCAGAGAAGAGAGTTGAACAGTGGTGA
PF00106
adh_short
function
catalytic activity
function
oxidoreductase activity
process
physiological process
process
metabolism
BE0003130
DevB protein
Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
unknown
DevB protein
Involved in 6-phosphogluconolactonase activity
VC_A0897
Cytoplasmic
None
5.5
25804.0
Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
GenBank Gene Database
AE004417
UniProtKB
Q9KL51
UniProt Accession
Q9KL51_VIBCH
>DevB protein
MINHKIFPTADAVVKSLADDMLAYSQQGQPVHISLSGGSTPKMLFKLLASQPYANDIQWK
NLHFWWGDERCVAPDDAESNYGEANALLFSKINMPAQNIHRILGENEPQAEAERFAQAMA
HVIPTENGTPVFDWILLGVGADGHTASLFPGQTDYADANLSVVASHPESGQLRVSKTAKV
LQAAKRISYLVLGAGKAEIVEQIHTTPAEQLPYPAAKIHSTSGVTEWYLDSDAAAKIA
>717 bp
ATGATCAACCATAAAATTTTCCCAACTGCGGATGCCGTAGTGAAAAGCCTTGCCGACGAT
ATGTTGGCGTACAGCCAGCAAGGTCAGCCAGTACACATTTCCTTATCTGGCGGCAGCACA
CCAAAAATGCTGTTTAAGCTTTTGGCAAGCCAGCCTTACGCCAACGACATTCAGTGGAAA
AACCTGCATTTCTGGTGGGGGGATGAACGCTGTGTGGCACCGGATGACGCAGAAAGCAAC
TACGGTGAAGCCAATGCGCTGCTGTTTAGCAAAATCAACATGCCTGCACAGAACATTCAC
CGCATTCTGGGTGAAAACGAGCCACAAGCTGAAGCAGAACGTTTTGCTCAAGCGATGGCG
CATGTGATCCCAACCGAAAACGGCACGCCTGTGTTTGATTGGATCCTACTGGGTGTCGGT
GCGGATGGTCATACCGCATCCCTGTTCCCAGGGCAAACCGACTATGCAGACGCCAATCTT
TCGGTGGTGGCAAGCCATCCAGAATCTGGGCAACTACGCGTTTCAAAAACCGCGAAAGTG
CTGCAAGCCGCAAAACGCATCAGTTATCTCGTTCTTGGCGCAGGTAAAGCCGAGATCGTA
GAACAAATTCACACCACTCCAGCCGAACAACTGCCTTATCCGGCAGCCAAAATTCACTCC
ACTTCAGGAGTGACGGAGTGGTACTTAGATTCAGACGCCGCAGCAAAGATTGCGTGA
PF01182
Glucosamine_iso
function
catalytic activity
function
hydrolase activity, acting on ester bonds
function
carboxylic ester hydrolase activity
function
hydrolase activity
function
6-phosphogluconolactonase activity
process
macromolecule metabolism
process
carbohydrate metabolism
process
alcohol metabolism
process
monosaccharide metabolism
process
hexose metabolism
process
glucose metabolism
process
physiological process
process
glucose catabolism
process
metabolism
process
cellular metabolism
process
pentose-phosphate shunt
BE0003074
Carbonyl reductase [NADPH] 1
Human
unknown
Carbonyl reductase [NADPH] 1
Involved in oxidoreductase activity
Catalyzes the reduction of a wide variety of carbonyl compounds including the antitumor anthracycline antibiotics. Can convert prostaglandin E2 to prostaglandin F2-alpha
CBR1
Cytoplasm
None
8.49
30375.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:1548
GenAtlas
CBR1
GenBank Gene Database
J04056
UniProtKB
P16152
UniProt Accession
CBR1_HUMAN
15-hydroxyprostaglandin dehydrogenase [NADP+]
EC 1.1.1.184
EC 1.1.1.189
EC 1.1.1.197
NADPH-dependent carbonyl reductase 1
Prostaglandin 9-ketoreductase
Prostaglandin-E(2) 9-reductase
>Carbonyl reductase [NADPH] 1
MSSGIHVALVTGGNKGIGLAIVRDLCRLFSGDVVLTARDVTRGQAAVQQLQAEGLSPRFH
QLDIDDLQSIRALRDFLRKEYGGLDVLVNNAGIAFKVADPTPFHIQAEVTMKTNFFGTRD
VCTELLPLIKPQGRVVNVSSIMSVRALKSCSPELQQKFRSETITEEELVGLMNKFVEDTK
KGVHQKEGWPSSAYGVTKIGVTVLSRIHARKLSEQRKGDKILLNACCPGWVRTDMAGPKA
TKSPEEGAETPVYLALLPPDAEGPHGQFVSEKRVEQW
>834 bp
ATGTCGTCCGGCATCCATGTAGCGCTGGTGACTGGAGGCAACAAGGGCATCGGCTTGGCC
ATCGTGCGCGACCTGTGCCGGCTGTTCTCGGGGGACGTGGTGCTCACGGCGCGGGACGTG
ACGCGGGGCCAGGCGGCCGTACAGCAGCTGCAGGCGGAGGGCCTGAGCCCGCGCTTCCAC
CAGCTGGACATCGACGATCTGCAGAGCATCCGCGCCCTGCGCGACTTCCTGCGCAAGGAG
TACGGGGGCCTGGACGTGCTGGTCAACAACGCGGGCATCGCCTTCAAGGTTGCTGATCCC
ACACCCTTTCATATTCAAGCTGAAGTGACGATGAAAACAAATTTCTTTGGTACCCGAGAT
GTGTGCACAGAATTACTCCCTCTAATAAAACCCCAAGGGAGAGTGGTGAACGTATCTAGC
ATCATGAGCGTCAGAGCCCTTAAAAGCTGCAGCCCAGAGCTGCAGCAGAAGTTCCGCAGT
GAGACCATCACTGAGGAGGAGCTGGTGGGGCTCATGAACAAGTTTGTGGAGGATACAAAG
AAGGGAGTGCACCAGAAGGAGGGCTGGCCCAGCAGCGCATACGGGGTGACGAAGATTGGC
GTCACCGTTCTGTCCAGGATCCACGCCAGGAAACTGAGTGAGCAGAGGAAAGGGGACAAG
ATCCTCCTGAATGCCTGCTGCCCAGGGTGGGTGAGAACTGACATGGCGGGACCCAAGGCC
ACCAAGAGCCCAGAAGAAGGTGCAGAGACCCCTGTGTACTTGGCCCTTTTGCCCCCAGAT
GCTGAGGGTCCCCATGGACAATTTGTTTCAGAGAAGAGAGTTGAACAGTGGTGA
PF00106
adh_short
function
catalytic activity
function
oxidoreductase activity
process
physiological process
process
metabolism
unknown
unknown
"
|
| 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