Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08438"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(2E,4R,5S)-2,3,4,5-TETRAHYDROXY-6-(PALMITOYLOXY)HEX-2-ENOIC ACID"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
Fatty Acid Esters
Organic Compounds
Lipids
Fatty Acid Esters
Dicarboxylic Acids and Derivatives
Enones
Secondary Alcohols
Carboxylic Acid Esters
Enediols
1,2-Diols
Ethers
Carboxylic Acids
Polyamines
Enolates
dicarboxylic acid derivative
enone
polyol
carboxylic acid ester
secondary alcohol
enediol
1,2-diol
ether
polyamine
enolate
carboxylic acid derivative
carboxylic acid
alcohol
logP
4.39
ALOGPS
logS
-4.6
ALOGPS
Water Solubility
1.18e-02 g/l
ALOGPS
logP
4.11
ChemAxon
IUPAC Name
(2Z,4R,5S)-6-(hexadecanoyloxy)-2,3,4,5-tetrahydroxyhex-2-enoic acid
ChemAxon
Traditional IUPAC Name
(2Z,4R,5S)-6-(hexadecanoyloxy)-2,3,4,5-tetrahydroxyhex-2-enoic acid
ChemAxon
Molecular Weight
432.5482
ChemAxon
Monoisotopic Weight
432.272318256
ChemAxon
SMILES
[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)[C@@]([H])(O)C(\O)=C(\O)C(O)=O
ChemAxon
Molecular Formula
C22H40O8
ChemAxon
InChI
InChI=1S/C22H40O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)30-16-17(23)19(25)20(26)21(27)22(28)29/h17,19,23,25-27H,2-16H2,1H3,(H,28,29)/b21-20-/t17-,19+/m0/s1
ChemAxon
InChIKey
InChIKey=XWTWKBKNEMLBKW-KCWNHAIFSA-N
ChemAxon
Polar Surface Area (PSA)
144.52
ChemAxon
Refractivity
114.12
ChemAxon
Polarizability
49.75
ChemAxon
Rotatable Bond Count
20
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
3.03
ChemAxon
pKa (strongest basic)
-3.6
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
46937151
PubChem Substance
99444909
PDB
PVC
BE0001361
Hyaluronate lyase
Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)
# 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
Hyaluronate lyase
Involved in hyaluronidase activity
Cleaves hyaluronate chains at a beta-D-GalNAc- (1->4)-beta-D-GlcA bond, ultimately breaking the polysaccharide down to 3-(4-deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D- glucosamine
SP_0314
Cell wall; peptidoglycan-anchor (Potential)
None
5.97
120772.0
Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)
GenBank Gene Database
AE005672
GenBank Protein Database
14971788
UniProtKB
Q54873
UniProt Accession
HYSA_STRPN
EC 4.2.2.1
Hyaluronate lyase precursor
Hyaluronidase
HYase
>Hyaluronate lyase precursor
MQTKTKKLIVSLSSLVLSGFLLNHYMTIGAEETTTNTIQQSQKEVQYQQRDTKNLVENGD
FGQTEDGSSPWTGSKAQGWSAWVDQKNSADASTRVIEAKDGAITISSHEKLRAALHRMVP
IEAKKKYKLRFKIKTDNKIGIAKVRIIEESGKDKRLWNSATTSGTKDWQTIEADYSPTLD
VDKIKLELFYETGTGTVSFKDIELVEVADQLSEDSQTDKQLEEKIDLPIGKKHVFSLADY
TYKVENPDVASVKNGILEPLKEGTTNVIVSKDGKEVKKIPLKILASVKDAYTDRLDDWNG
IIAGNQYYDSKNEQMAKLNQELEGKVADSLSSISSQADRTYLWEKFSNYKTSANLTATYR
KLEEMAKQVTNPSSRYYQDETVVRTVRDSMEWMHKHVYNSEKSIVGNWWDYEIGTPRAIN
NTLSLMKEYFSDEEIKKYTDVIEKFVPDPEHFRKTTDNPFKALGGNLVDMGRVKVIAGLL
RKDDQEISSTIRSIEQVFKLVDQGEGFYQDGSYIDHTNVAYTGAYGNVLIDGLSQLLPVI
QKTKNPIDKDKMQTMYHWIDKSFAPLLVNGELMDMSRGRSISRANSEGHVAAVEVLRGIH
RIADMSEGETKQCLQSLVKTIVQSDSYYDVFKNLKTYKDISLMQSLLSDAGVASVPRPSY
LSAFNKMDKTAMYNAEKGFGFGLSLFSSRTLNYEHMNKENKRGWYTSDGMFYLYNGDLSH
YSDGYWPTVNPYKMPGTTETDAKRADSDTGKVLPSAFVGTSKLDDANATATMDFTNWNQT
LTAHKSWFMLKDKIAFLGSNIQNTSTDTAATTIDQRKLESGNPYKVYVNDKEASLTEQEK
DYPETQSVFLESFDSKKNIGYFFFKKSSISMSKALQKGAWKDINEGQSDKEVENEFLTIS
QAHKQNRDSYGYMLIPNVDRATFNQMIKELESSLIENNETLQSVYDAKQGVWGIVKYDDS
VSTISNQFQVLKRGVYTIRKEGDEYKIAYYNPETQESAPDQEVFKKLEQAAQPQVQNSKE
KEKSEEEKNHSDQKNLPQTGEGQSILASLGFLLLGAFYLFRRGKNN
>3201 bp
ATGCAAACAAAAACAAAGAAGCTCATTGTGAGTTTGTCTTCACTTGTTTTATCAGGATTT
TTATTAAACCATTATATGACAATTGGAGCGGAAGAAACGACTACGAATACCATTCAGCAA
AGCCAGAAGGAAGTTCAGTATCAGCAAAGGGATACAAAAAATTTAGTTGAAAATGGTGAT
TTTGGTCAGACGGAGGACGGAAGCAGTCCGTGGACAGGAAGCAAAGCTCAGGGGTGGTCA
GCTTGGGTAGACCAGAAGAATAGTGCAGATGCCTCAACTCGAGTCATTGAGGCTAAGGAT
GGGGCTATCACTATCTCAAGCCATGAGAAATTAAGGGCAGCGCTTCACCGTATGGTTCCT
ATTGAAGCTAAGAAAAAGTATAAACTGCGTTTCAAGATTAAAACAGATAATAAAATCGGG
ATTGCCAAAGTTCGTATCATTGAGGAAAGTGGTAAGGACAAGCGATTGTGGAATTCTGCA
ACGACGTCAGGAACAAAGGACTGGCAGACCATTGAAGCAGACTATAGCCCGACTTTAGAT
GTTGATAAAATCAAGCTGGAGTTATTCTATGAAACAGGAACTGGGACTGTTTCCTTTAAG
GATATTGAGCTGGTAGAGGTAGCAGACCAGCTTTCTGAGGATTCTCAAACAGATAAACAG
CTTGAGGAAAAGATTGATTTACCAATTGGAAAAAAACATGTTTTTTCTCTTGCGGACTAT
ACTTATAAGGTAGAAAATCCTGACGTTGCTTCAGTCAAAAATGGAATTTTAGAACCTCTT
AAGGAAGGGACAACCAATGTCATTGTCAGTAAAGATGGCAAGGAAGTGAAAAAGATTCCT
TTGAAGATTCTGGCCTCTGTTAAGGATGCATACACAGACCGTTTGGATGACTGGAATGGC
ATCATCGCTGGGAATCAATACTATGATTCTAAAAATGAACAGATGGCCAAATTAAACCAG
GAATTGGAAGGAAAGGTAGCTGATAGCCTATCCAGTATTTCAAGTCAGGCGGACCGCACC
TATTTGTGGGAAAAATTTTCAAATTATAAAACGTCTGCAAATCTGACTGCCACTTATCGG
AAATTGGAGGAGATGGCCAAGCAAGTGACCAATCCTTCTTCTCGTTATTATCAAGATGAA
ACTGTCGTTCGAACAGTCAGGGATTCCATGGAATGGATGCATAAACATGTCTACAATAGT
GAAAAGAGCATTGTTGGGAACTGGTGGGATTATGAAATCGGTACACCTCGTGCCATCAAC
AATACCTTGTCTCTGATGAAAGAATACTTCTCTGATGAGGAAATTAAAAAATATACAGAT
GTGATTGAAAAATTTGTACCAGATCCCGAACATTTCCGAAAGACGACTGATAACCCATTC
AAGGCTCTAGGTGGAAACTTAGTTGATATGGGAAGGGTAAAAGTAATAGCTGGTTTACTG
CGTAAGGATGATCAAGAAATTTCTTCTACCATTCGCTCGATTGAGCAAGTGTTCAAGTTG
GTAGACCAAGGTGAAGGTTTTTATCAAGATGGATCCTATATCGACCACACCAATGTTGCC
TATACGGGTGCTTATGGGAATGTTTTGATTGATGGCCTGTCTCAACTGTTGCCAGTCATT
CAAAAGACCAAGAATCCAATCGATAAAGATAAAATGCAAACCATGTACCACTGGATTGAT
AAATCGTTTGCTCCTTTGCTGGTGAATGGAGAGTTGATGGATATGAGTCGTGGACGCTCG
ATCAGTCGTGCAAATAGCGAGGGGCACGTGGCCGCAGTAGAAGTACTAAGAGGGATTCAC
CGAATAGCGGATATGTCTGAAGGAGAAACCAAACAATGTTTGCAGAGTCTTGTGAAGACC
ATTGTTCAATCGGATAGTTATTATGATGTCTTTAAGAATTTGAAGACTTATAAGGATATC
AGTTTGATGCAATCCTTGTTAAGTGATGCAGGAGTCGCAAGTGTTCCAAGACCAAGTTAC
CTATCTGCCTTTAACAAGATGGATAAAACAGCCATGTACAATGCAGAGAAAGGGTTTGGA
TTTGGCTTGTCACTCTTTTCCAGTCGTACCTTGAATTACGAACACATGAACAAGGAAAAT
AAACGTGGTTGGTATACGAGTGATGGGATGTTCTATCTTTACAATGGCGATTTGAGTCAC
TATAGCGATGGCTACTGGCCAACAGTTAATCCATATAAGATGCCTGGTACAACAGAGACG
GATGCTAAGAGAGCGGATAGCGATACAGGTAAAGTTTTACCGTCTGCTTTCGTTGGAACG
AGCAAACTAGATGATGCCAATGCGACAGCAACCATGGATTTCACCAACTGGAATCAAACA
TTGACTGCTCATAAGAGCTGGTTTATGCTAAAGGATAAGATCGCCTTTTTAGGAAGCAAT
ATCCAAAACACTTCAACAGATACTGCTGCAACTACAATTGACCAGAGAAAACTGGAATCA
GGTAATCCATATAAAGTCTATGTCAATGATAAAGAAGCCTCCCTTACAGAACAAGAAAAG
GATTATCCTGAAACCCAAAGTGTCTTTTTAGAATCGTTCGATTCGAAAAAGAATATTGGT
TACTTTTTCTTTAAGAAGAGTTCAATCAGTATGAGTAAGGCTTTGCAAAAGGGAGCCTGG
AAGGATATCAATGAAGGACAGTCAGACAAGGAAGTTGAAAATGAATTTCTTACGATTAGT
CAGGCTCATAAGCAAAATAGAGATTCTTATGGCTATATGCTCATTCCTAACGTGGATCGT
GCCACCTTCAATCAAATGATAAAAGAGTTAGAAAGTAGCCTCATCGAAAATAACGAAACC
CTTCAGTCTGTTTATGATGCTAAACAAGGAGTTTGGGGCATTGTGAAATATGATGATTCT
GTCTCTACTATTTCCAACCAATTCCAAGTTTTGAAACGTGGAGTCTATACCATTCGAAAA
GAAGGGGATGAATATAAGATTGCCTACTATAATCCTGAAACCCAGGAATCAGCTCCAGAT
CAGGAAGTCTTTAAAAAGCTAGAGCAAGCAGCTCAGCCACAAGTACAGAATTCAAAAGAA
AAGGAAAAATCTGAAGAGGAAAAGAACCATTCGGATCAAAAGAATCTCCCTCAGACAGGA
GAAGGTCAGTCAATCTTGGCAAGTCTAGGGTTCTTGCTACTTGGGGCATTTTATCTATTC
CGTAGAGGAAAGAACAACTAA
PF02018
CBM_4_9
PF00746
Gram_pos_anchor
PF02278
Lyase_8
PF02884
Lyase_8_C
PF08124
Lyase_8_N
component
cell surface
component
cell
component
extracellular region
function
carbon-oxygen lyase activity, acting on polysaccharides
function
catalytic activity
function
lyase activity
function
carbon-oxygen lyase activity
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object