Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02405"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
73367-80-3
experimental
This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
Straight Chain Fatty Acids
Organic Compounds
Lipids
Fatty Acids and Conjugates
Straight Chain Fatty Acids
Polyamines
Carboxylic Acids
Enolates
Organobromides
Alkyl Bromides
enolate
polyamine
carboxylic acid derivative
carboxylic acid
organohalogen
organobromide
alkyl halide
alkyl bromide
logP
5.56
ALOGPS
logS
-5.3
ALOGPS
Water Solubility
1.38e-03 g/l
ALOGPS
logP
4.58
ChemAxon
IUPAC Name
12-bromododecanoic acid
ChemAxon
Traditional IUPAC Name
12-bromododecanoic acid
ChemAxon
Molecular Weight
279.214
ChemAxon
Monoisotopic Weight
278.088142627
ChemAxon
SMILES
OC(=O)CCCCCCCCCCCBr
ChemAxon
Molecular Formula
C12H23BrO2
ChemAxon
InChI
InChI=1S/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)
ChemAxon
InChIKey
InChIKey=YYKBWYBUCFHYPR-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
37.3
ChemAxon
Refractivity
66.64
ChemAxon
Polarizability
29.3
ChemAxon
Rotatable Bond Count
11
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
4.95
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
ChEBI
30806
PubChem Compound
175468
PubChem Substance
46506537
ChemSpider
152887
PDB
BRC
BE0003957
Glycodelin
Human
# 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
Glycodelin
Involved in binding
This protein is, quantitatively, the main protein synthesized and secreted in the endometrium from mid-luteal phase of the menstrual cycle and during the first semester of pregnancy
PAEP
9q34
None
5.26
20624.0
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:8573
GeneCards
PAEP
GenBank Gene Database
J04129
GenBank Protein Database
190215
UniProtKB
P09466
UniProt Accession
PAEP_HUMAN
GD
PAEG
PEG
Placental protein 14
PP14
Pregnancy-associated endometrial alpha-2 globulin
Progestagen-associated endometrial protein
Progesterone-associated endometrial protein
>Glycodelin
MLCLLLTLGVALVCGVPAMDIPQTKQDLELPKLAGTWHSMAMATNNISLMATLKAPLRVH
ITSLLPTPEDNLEIVLHRWENNSCVEKKVLGEKTENPKKFKINYTVANEATLLDTDYDNF
LFLCLQDTTTPIQSMMCQYLARVLVEDDEIMQGFIRAFRPLPRHLWYLLDLKQMEEPCRF
>489 bp
GTGTCCCGGCCATGGACATCCCCCAGACCAAGCAGGACCTGGAGCTCCCAAAGTTGGCAG
GGACCTGGCACTCCATGGCCATGGCGACCAACAACATCTCCCTCATGGCGACACTGAAGG
CCCCTCTGAGGGTCCACATCACCTCACTGTTGCCCACCCCCGAGGACAACCTGGAGATCG
TTCTGCACAGATGGGAGAACAACAGCTGTGTTGAGAAGAAGGTCCTTGGAGAGAAGACTG
GGAATCCAAAGAAGTTCAAGATCAACTATACGGTGGCGAACGAGGCCACGCTGCTCGATA
CTGACTACGACAATTTCCTGTTTCTCTGCCTACAGGACACCACCACCCCCATCCAGAGCA
TGATGTGCCAGTACCTGGCCAGAGTCCTGGTGGAGGACGATGAGATCATGCAGGGATTCA
TCAGGGCTTTCAGGCCCCTGCCCAGGCACCTATGGTACTTGCTGGACTTGAAACAGATGG
AAGAGCCGT
PF00061
Lipocalin
function
binding
function
transporter activity
process
physiological process
process
cellular physiological process
process
transport
"
|
| rdf:type | |
| rdfs:label |
"12-Bromododecanoic Acid"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object