Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03699"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Succinyl-Coenzyme A"
|
| rdf:type | |
| drugbank:description |
"
604-98-8
experimental
This compound belongs to the acyl coas. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.
Acyl CoAs
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Purine Ribonucleoside Diphosphates
Glycoamino Acids and Derivatives
Beta Amino Acids and Derivatives
Organic Pyrophosphates
Purines and Purine Derivatives
Aminopyrimidines and Derivatives
N-substituted Imidazoles
Primary Aromatic Amines
Organic Phosphoric Acids
Organophosphate Esters
Thioesters
Oxolanes
Tetrahydrofurans
Thiocarboxylic Acid Esters
Secondary Carboxylic Acid Amides
Secondary Alcohols
Ethers
Carboxylic Acids
Enolates
Polyamines
Aldehydes
purine ribonucleoside diphosphate
glyco amino acid
beta amino acid or derivative
organic pyrophosphate
purine
imidazopyrimidine
aminopyrimidine
phosphoric acid ester
primary aromatic amine
organic phosphate
pyrimidine
n-substituted imidazole
carboxylic-thioester
azole
oxolane
imidazole
tetrahydrofuran
secondary alcohol
carboxamide group
secondary carboxylic acid amide
thiocarboxylic acid ester
polyamine
thiocarboxylic acid derivative
carboxylic acid derivative
carboxylic acid
enolate
ether
primary amine
amine
alcohol
organonitrogen compound
aldehyde
logP
-0.61
ALOGPS
logS
-2.4
ALOGPS
Water Solubility
3.84e+00 g/l
ALOGPS
logP
-7.2
ChemAxon
IUPAC Name
4-[(2-{3-[(2R)-3-[({[({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-4-oxobutanoic acid
ChemAxon
Traditional IUPAC Name
4-[(2-{3-[(2R)-3-{[({[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-4-oxobutanoic acid
ChemAxon
Molecular Weight
867.607
ChemAxon
Monoisotopic Weight
867.131252359
ChemAxon
SMILES
CC(C)(CO[P@](O)(=O)O[P@@](O)(=O)OC[C@@H]1O[C@H]([C@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(O)=O
ChemAxon
Molecular Formula
C25H40N7O19P3S
ChemAxon
InChI
InChI=1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t13-,18+,19-,20-,24+/m0/s1
ChemAxon
InChIKey
InChIKey=VNOYUJKHFWYWIR-LJEXEIFSSA-N
ChemAxon
Polar Surface Area (PSA)
400.93
ChemAxon
Refractivity
183.1
ChemAxon
Polarizability
76.76
ChemAxon
Rotatable Bond Count
23
ChemAxon
H Bond Acceptor Count
19
ChemAxon
H Bond Donor Count
10
ChemAxon
pKa (strongest acidic)
0.82
ChemAxon
pKa (strongest basic)
4.98
ChemAxon
Physiological Charge
-5
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
ChEBI
15380
PubChem Compound
46936759
PubChem Substance
46506270
KEGG Compound
C00091
PDB
SCA
BE0001297
2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
Unknown prokaryotic organism
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
unknown
2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
Amino acid transport and metabolism
Succinyl-CoA + (S)-2,3,4,5-tetrahydropyridine- 2,6-dicarboxylate + H(2)O = CoA + N-succinyl-L-2-amino-6- oxoheptanedioate
dapD
Cytoplasm
None
5.43
29887.0
Unknown prokaryotic organism
UniProtKB
P56220
UniProt Accession
DAPD_UNKP
EC 2.3.1.117
Tetrahydrodipicolinate N-succinyltransferase
Tetrahydropicolinate succinylase
THP succinyltransferase
>2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
MQQLQNVIESAFERRADITPANVDTVTREAVNQVIGLLDSGALRVAEKIDGQWVTHQWLK
KAVLLSFRINDNKVMDGAETRYYDKVPMKFADYDEARFQKEGFRVVPPATVRQGAFIARN
TVLMPSYVNIGAYVDEGTMVDTWATVGSCAQIGKNVHLSGGVGIGGVLEPLQANPTIIED
NCFIGARSEVVEGVIVEEGSVISMGVYLGQSTRIYDRETGEIHYGRVPAGSVVVSGNLPS
KDGSYSLYCAVIVKKVDAKTRGKVGINELLRTID
PF00132
Hexapep
function
transferase activity
function
transferase activity, transferring glycosyl groups
function
catalytic activity
process
metabolism
process
cellular metabolism
process
amino acid metabolism
process
amino acid and derivative metabolism
process
aspartate family amino acid metabolism
process
lysine metabolism
process
lysine biosynthesis
process
physiological process
process
lysine biosynthesis via diaminopimelate
"
|
| 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