Showing drug card for N-Acetylmannosaminitol (DB02787)
Legend:
drug field
target field
enzyme field
| Version |
2.5 |
| Creation Date |
2005-06-13 13:24:05 |
| Update Date |
2008-08-26 16:19:30 |
| Primary Accession Number |
DB02787 |
| Secondary Accession Number |
|
| Name |
N-Acetylmannosaminitol |
| Drug Type |
- Experimental
- Small Molecule
|
| Description |
Not Available |
| Synonyms |
Not Available |
| Brand Names |
Not Available |
| Brand Mixtures |
Not Available |
| Chemical IUPAC Name |
(2R,3S,4R,5R)-5-(1-hydroxyethylamino)hexane-1,2,3,4,6-pentol |
| Chemical Formula |
C8H19NO6 |
| Chemical Structure |
 |
| CAS Registry Number |
Not Available |
| InChI Identifier |
InChI=1/C8H19NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h4-15H,2-3H2,1H3 |
| InChI Key |
OUBSZQOZVSSBQR-UHFFFAOYAR |
| KEGG Drug |
Not Available |
| KEGG Compound |
Not Available |
| PubChem Compound |
5288815  |
| PubChem Substance |
7888954 |
| ChEBI ID |
Not Available |
| PharmGKB ID |
Not Available |
| HET ID |
MMN |
| GenBank ID |
Not Available |
| Drug ID Number [DIN] |
Not Available |
| RxList Link |
Not Available |
| PDRhealth Link |
Not Available |
| Wikipedia Link |
Not Available |
| FDA Label |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| Synthesis Reference |
Not Available |
| Average Molecular Weight |
225.2396 |
| Monoisotopic Molecular Weight |
225.1212 |
| State |
Solid |
| Melting Point |
Not Available |
| Experimental Water Solubility |
Not Available
Source: PhysProp
|
| Predicted Water Solubility |
1.48e+02 mg/mL
Calculated using ALOGPS
|
| Experimental LogP/Hydrophobicity |
Not Available
Source: PhysProp
|
| Predicted LogP |
-2.16
Calculated using ALOGPS
|
| Experimental LogS |
Not Available |
| Predicted LogS |
-0.18
Calculated using ALOGPS
|
| Experimental Caco2 Permeability |
Not Available |
| pKa/Isoelectric Point |
Not Available |
| Mass Spectrum |
Not Available
|
| MOL File |
Show | Download |
| SDF File |
Show | Download |
| PDB File |
Show | Download |
| 2D Structure |
|
| 3D Structure |
|
| Experimental PDB ID |
1XUZ |
| Experimental PDB File |
Show |
| Experimental PDB Structure |
|
| Isomeric SMILES |
C[C@H](O)N[C@H](CO)[C@H](O)[C@@H](O)[C@H](O)CO |
| Canonical SMILES |
CC(O)NC(CO)C(O)C(O)C(O)CO |
| Drug Category |
Not Available |
| ATC Codes |
Not Available |
| AHFS Codes |
Not Available |
| Indication |
Not Available |
| Pharmacology |
Not Available |
| Mechanism of Action |
Not Available |
| Absorption |
Not Available |
| Toxicity |
Not Available |
| Protein Binding |
Not Available |
| Biotransformation |
Not Available |
| Half Life |
Not Available |
| Dosage Forms |
Not Available
|
| Patient Information |
Not Available |
| Contraindications |
Not Available |
| Interactions |
Not Available |
| Drug Interactions |
Not Available
|
| Food Interactions |
Not Available
|
| Pathways |
Not Available
|
| General References |
Not Available |
| Organisms Affected |
Not Available |
| Targets |
- Capsule biosynthesis protein
|
|
Drug Target 1
[top]
|
| Target 1 ID |
4384 |
| Target 1 Name |
Capsule biosynthesis protein |
| Target 1 Synonyms |
- SiaC
|
| Target 1 Gene Name |
synC |
| Target 1 Protein Sequence |
>Capsule biosynthesis protein
MQNNNEFKIGNRSVGYNHEPLIICEIGINHEGSLKTAFEMVDAAYNAGAEVVKHQTHIVE
DEMSDEAKQVIPGNADVSIYEIMERCALNEEDEIKLKEYVESKGMIFISTPFSRAAALRL
QRMDIPAYKIGSGECNNYPLIKLVASFGKPIILSTGMNSIESIKKSVEIIREAGVPYALL
HCTNIYPTPYEDVRLGGMNDLSEAFPDAIIGLSDHTLDNYACLGAVALGGSILERHFTDR
MDRPGPDIVCSMNPDTFKELKQGAHALKLARGGKKDTIIAGEKPTKDFAFASVVADKDIK
KGELLSGDNLWVKRPGNGDFSVNEYETLFGKVAACNIRKGAQIKKTDIE
|
| Target 1 Number of Residues |
354 |
| Target 1 Molecular Weight |
38348 |
| Target 1 Theoretical pI |
5.18 |
| Target 1 GO Classification |
Not Available |
| Target 1 General Function |
Cell wall/membrane/envelope biogenesis |
| Target 1 Specific Function |
Not Available |
| Target 1 Pathways |
Not Available
|
| Target 1 Reactions |
Not Available |
| Target 1 Pfam Domain Function |
|
| Target 1 Signals |
|
| Target 1 Transmembrane Regions |
|
| Target 1 Essentiality |
Essential |
| Target 1 GenBank ID Protein |
Not Available |
| Target 1 UniProtKB/Swiss-Prot ID |
Q57265 |
| Target 1 UniProtKB/Swiss-Prot Entry Name |
Q57265_NEIME |
| Target 1 PDB ID |
1XUZ |
| Target 1 PDB File |
Show |
| Target 1 3D Structure |
|
| Target 1 Cellular Location |
Not Available |
| Target 1 Gene Sequence |
>1050 bp
ATGCAAAACAACAACGAATTTAAAATTGGTAATCGTTCAGTAGGTTACAACCACGAACCA
TTGATTATCTGTGAAATCGGCATCAATCATGAAGGCTCTTTAAAAACAGCTTTTGAAATG
GTTGATGCTGCCTATAATGCAGGCGCTGAAGTTGTTAAACATCAAACACACATCGTTGAA
GACGAAATGTCTGATGAGGCCAAACAAGTCATTCCAGGCAATGCAGATGTCTCTATTTAT
GAAATTATGGAACGTTGCGCCCTGAATGAAGAAGATGAGATTAAATTAAAAGAATACGTA
GAGAGTAAGGGTATGATTTTTATCAGTACTCCTTTCTCTCGTGCAGCTGCTTTACGATTA
CAACGTATGGATATTCCAGCATATAAAATCGGCTCTGGCGAATGTAATAACTACCCATTA
ATTAAACTGGTGGCCTCTTTTGGTAAGCCTATTATTCTCTCTACCGGCATGAATTCTATT
GAAAGCATCAAAAAGTCGGTAGAAATTATTCGAGAAGCAGGGGTACCTTATGCTTTGCTT
CACTGTACCAACATCTACCCAACCCCTTACGAAGATGTTCGATTGGGTGGTATGAACGAT
TTATCTGAAGCCTTTCCAGACGCAATCATTGGCCTGTCTGACCATACCTTAGATAACTAT
GCTTGCTTAGGAGCAGTAGCTTTAGGCGGTTCGATTTTAGAGCGTCACTTTACTGACCGC
ATGGATCGCCCAGGTCCGGATATTGTATGCTCTATGAATCCGGATACTTTTAAAGAGCTC
AAGCAAGGCGCTCATGCTTTAAAATTGGCACGCGGCGGCAAAAAAGACACGATTATCGCG
GGAGAAAAGCCAACTAAAGATTTCGCCTTTGCATCTGTCGTAGCAGATAAAGACATTAAA
AAAGGAGAACTGTTGTCCGGAGATAACCTATGGGTTAAACGCCCAGGCAATGGAGACTTC
AGCGTCAACGAATATGAAACATTATTTGGTAAGGTCGCTGCTTGCAATATTCGCAAAGGT
GCTCAAATCAAAAAAACTGATATTGAATAA
|
| Target 1 GenBank Gene ID |
|
| Target 1 GeneCard ID |
Not Available |
| Target 1 GenAtlas ID |
Not Available |
| Target 1 HGNC ID |
Not Available |
| Target 1 Chromosome Location |
Not Available |
| Target 1 Locus |
Not Available |
| Target 1 SNPs |
SNPJam Report |
| Target 1 General References |
- Frosch M, Edwards U, Bousset K, Krausse B, Weisgerber C: Evidence for a common molecular origin of the capsule gene loci in gram-negative bacteria expressing group II capsular polysaccharides. Mol Microbiol. 1991 May;5(5):1251-63. [PubMed ]
- Swartley JS, Ahn JH, Liu LJ, Kahler CM, Stephens DS: Expression of sialic acid and polysialic acid in serogroup B Neisseria meningitidis: divergent transcription of biosynthesis and transport operons through a common promoter region. J Bacteriol. 1996 Jul;178(14):4052-9. [PubMed ]
|
| Target 1 Drug References |
Not Available |
