Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04746"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(10E,12Z)-octadeca-10,12-dienoic acid"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the lineolic acids and derivatives. These are derivatives of lineolic acid.
Lineolic Acids and Derivatives
Organic Compounds
Lipids
Lineolic Acids and Derivatives
Unsaturated Fatty Acids
Straight Chain Fatty Acids
Polyamines
Enolates
Carboxylic Acids
enolate
polyamine
carboxylic acid
carboxylic acid derivative
10-TRANS-12-CIS-OCTADECADIENOIC ACID
10E,12Z-octadecadienoic acid
10E,Z12-CLA
logP
7.1
ALOGPS
logS
-6.3
ALOGPS
Water Solubility
1.49e-04 g/l
ALOGPS
logP
6.42
ChemAxon
IUPAC Name
(10E,12Z)-octadeca-10,12-dienoic acid
ChemAxon
Traditional IUPAC Name
(10E,12Z)-octadeca-10,12-dienoic acid
ChemAxon
Molecular Weight
280.4455
ChemAxon
Monoisotopic Weight
280.240230268
ChemAxon
SMILES
CCCCC\C=C/C=C/CCCCCCCCC(O)=O
ChemAxon
Molecular Formula
C18H32O2
ChemAxon
InChI
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+
ChemAxon
InChIKey
InChIKey=GKJZMAHZJGSBKD-NMMTYZSQSA-N
ChemAxon
Polar Surface Area (PSA)
37.3
ChemAxon
Refractivity
88.52
ChemAxon
Polarizability
36.57
ChemAxon
Rotatable Bond Count
14
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
5.02
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
0
ChemAxon
ChEBI
44526
PubChem Compound
5282800
PubChem Substance
46507143
PDB
ODD
BE0003358
Putative aminooxidase
Propionibacterium acnes (strain KPA171202 / DSM 16379)
unknown
Putative aminooxidase
Involved in oxidoreductase activity
PPA1039
None
4.81
49022.0
Propionibacterium acnes (strain KPA171202 / DSM 16379)
GenBank Gene Database
AE017283
UniProtKB
Q6A8X5
UniProt Accession
Q6A8X5_PROAC
>Putative aminooxidase
MSISKDSRIAIIGAGPAGLAAGMYLEQAGFHDYTILERTDHVGGKCHSPNYHGRRYEMGA
IMGVPSYDTIQEIMDRTGDKVDGPKLRREFLHEDGEIYVPEKDPVRGPQVMAAVQKLGQL
LATKYQGYDANGHYNKVHEDLMLPFDEFLALNGCEAARDLWINPFTAFGYGHFDNVPAAY
VLKYLDFVTMMSFAKGDLWTWADGTQAMFEHLNATLEHPAERNVDITRITREDGKVHIHT
TDWDRESDVLVLTVPLEKFLDYSDADDDEREYFSKIIHQQYMVDACLVKEYPTISGYVPD
NMRPERLGHVMVYYHRWADDPHQIITTYLLRNHPDYADKTQEECRQMVLDDMETFGHPVE
KIIEEQTWYYFPHVSSEDYKAGWYEKVEGMQGRRNTFYAGEIMSFGNFDEVCHYSKDLVT
RFFV
>1275 bp
ATGTCCATCTCGAAGGATTCACGTATCGCCATCATCGGCGCTGGCCCGGCCGGGCTGGCT
GCCGGAATGTACCTCGAACAGGCCGGATTTCACGACTACACGATCCTGGAACGCACCGAC
CACGTCGGAGGCAAGTGCCACTCACCGAACTACCACGGCCGTCGTTATGAGATGGGGGCC
ATCATGGGCGTCCCCAGTTACGACACCATCCAGGAGATCATGGATCGCACTGGCGACAAG
GTCGACGGGCCGAAACTGCGTCGCGAGTTCCTGCACGAGGACGGCGAGATCTACGTCCCG
GAAAAGGATCCAGTGCGTGGTCCGCAGGTCATGGCAGCAGTGCAGAAGCTGGGCCAGTTG
CTCGCGACGAAGTACCAGGGATATGACGCCAACGGCCACTACAACAAGGTTCACGAGGAC
CTCATGCTGCCCTTCGACGAGTTCCTCGCCCTCAACGGGTGCGAGGCCGCCCGAGACCTG
TGGATCAACCCCTTCACGGCCTTCGGCTACGGGCACTTCGACAACGTCCCGGCCGCCTAC
GTGCTGAAGTACCTCGACTTCGTCACCATGATGTCCTTTGCCAAGGGAGATCTGTGGACG
TGGGCCGACGGCACCCAGGCGATGTTCGAGCACCTCAACGCCACCCTGGAGCACCCGGCC
GAACGCAACGTTGACATCACTCGCATCACCCGCGAGGACGGCAAGGTCCACATCCACACC
ACGGACTGGGATCGCGAGTCCGACGTCCTCGTCCTCACCGTCCCGCTGGAAAAGTTCCTC
GACTACTCCGACGCGGACGATGACGAGCGGGAGTACTTCTCGAAGATCATCCACCAGCAG
TACATGGTGGATGCCTGCCTGGTGAAGGAGTACCCGACCATCTCCGGGTACGTCCCCGAC
AACATGAGGCCCGAACGTCTCGGGCACGTCATGGTTTACTACCACCGCTGGGCTGATGAT
CCGCACCAGATCATCACGACCTACCTGCTACGTAACCATCCGGACTACGCGGACAAGACT
CAGGAGGAGTGCCGCCAGATGGTCCTCGACGACATGGAGACCTTCGGTCATCCGGTCGAG
AAGATCATCGAGGAGCAGACCTGGTACTACTTCCCGCACGTTAGCTCGGAGGACTACAAG
GCCGGGTGGTACGAGAAGGTCGAGGGAATGCAGGGTCGTCGCAACACCTTCTACGCCGGA
GAAATTATGAGTTTCGGTAATTTCGACGAGGTGTGCCACTACTCGAAGGACCTGGTGACG
CGGTTCTTCGTGTGA
PF01593
Amino_oxidase
function
oxidoreductase activity
function
catalytic activity
process
metabolism
process
cellular metabolism
process
generation of precursor metabolites and energy
process
electron transport
process
physiological process
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object