Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03988"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdfs:label |
"2,6-Diamino-Hexanoic Acid Amide"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.
Alpha Amino Acid Amides
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
N-acyl Amines
Primary Carboxylic Acid Amides
Polyamines
Enolates
Carboxylic Acids
Monoalkylamines
carboxamide group
primary carboxylic acid amide
polyamine
enolate
carboxylic acid
amine
primary amine
primary aliphatic amine
organonitrogen compound
logP
-2.6
ALOGPS
logS
-1.2
ALOGPS
Water Solubility
1.04e+01 g/l
ALOGPS
logP
-1.5
ChemAxon
IUPAC Name
(5S)-5-amino-5-carbamoylpentan-1-aminium
ChemAxon
Traditional IUPAC Name
(5S)-5-amino-5-carbamoylpentan-1-aminium
ChemAxon
Molecular Weight
146.2107
ChemAxon
Monoisotopic Weight
146.129337149
ChemAxon
SMILES
N[C@@H](CCCC[NH3+])C(N)=O
ChemAxon
Molecular Formula
C6H16N3O
ChemAxon
InChI
InChI=1S/C6H15N3O/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H2,9,10)/p+1/t5-/m0/s1
ChemAxon
InChIKey
InChIKey=HKXLAGBDJVHRQG-YFKPBYRVSA-O
ChemAxon
Polar Surface Area (PSA)
96.75
ChemAxon
Refractivity
50.92
ChemAxon
Polarizability
16.72
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
16.63
ChemAxon
pKa (strongest basic)
10.21
ChemAxon
Physiological Charge
2
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
17754068
PubChem Substance
46506171
PDB
LYN
BE0003199
Pituitary adenylate cyclase-activating polypeptide
Human
unknown
Pituitary adenylate cyclase-activating polypeptide
Involved in hormone activity
Stimulates adenylate cyclase in pituitary cells
ADCYAP1
18p11
Secreted protein
None
10.24
18836.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:241
GenAtlas
ADCYAP1
GenBank Gene Database
S83513
UniProtKB
P18509
UniProt Accession
PACA_HUMAN
PACAP
Pituitary adenylate cyclase-activating polypeptide precursor
>Pituitary adenylate cyclase-activating polypeptide
MTMCSGARLALLVYGIIMHSSVYSSPAAAGLRFPGIRPEEEAYGEDGNPLPDFDGSEPPG
AGSPASAPRAAAAWYRPAGRRDVAHGILNEAYRKVLDQLSAGKHLQSLVARGVGGSLGGG
AGDDAEPLSKRHSDGIFTDSYSRYRKQMAVKKYLAAVLGKRYKQRVKNKGRRIAYL
>531 bp
ATGACCATGTGTAGCGGAGCGAGGCTGGCCCTGCTGGTCTATGGGATAATCATGCACAGC
AGCGTCTACAGCTCACCTGCCGCCGCCGGACTCCGGTTCCCCGGGATCAGGCCAGAGGAA
GAGGCGTACGGCGAGGACGGAAACCCGCTGCCAGACTTCGGTGGCTCGGAGCCGCCGGGC
GCAGGGAGCCCCGCCTCCGCGCCGCGCGCCGCCGCCGCCTGGTACCGCCCGGCCGGGAGA
AGAGATGTCGCCCACGGGATCCTTAACGAGGCCTACCGCAAAGTGCTGGACCAGCTGTCC
GCCGGGAAGCACCTGCAGTCGCTCGTGGCCCGGGGCGTGGGTGGGAGCCTCGGCGGCGGC
GCGGGGGACGACGCGGAGCCGCTCTCCAAGCGCCACTCGGACGGGATCTTCACGGACAGC
TACAGCCGCTACCGGAAACAAATGGCTGTCAAGAAGTACTTGGCGGCCGTCCTAGGGAAG
AGGTATAAACAAAGGGTTAAAAACAAAGGACGCCGAATAGCTTATTTGTAG
PF00123
Hormone_2
component
extracellular region
function
receptor binding
function
hormone activity
function
signal transducer activity
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object