Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02800"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"5-Hydroxymethylene-6-Hydrofolic Acid"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the pteroic acids and derivatives. These are compounds that are composed of a pterin with a 4-aminobenzoic acid (or derviative) at the 6 position on the pteridine ring.
Pteroic Acids and Derivatives
Organic Compounds
Heterocyclic Compounds
Pteridines and Derivatives
Pterins and Derivatives
N-acyl-alpha Amino Acids
Hippuric Acid Derivatives
Benzoyl Derivatives
Amino Fatty Acids
Pyrimidones
Dicarboxylic Acids and Derivatives
Primary Aromatic Amines
Hemiaminals
Tertiary Amines
Secondary Carboxylic Acid Amides
Polyols
Enolates
Carboxylic Acids
Polyamines
Secondary Amines
n-acyl-alpha amino acid or derivative
n-acyl-alpha-amino acid
hippurate
alpha-amino acid or derivative
benzamide
benzoyl
pyrimidone
primary aromatic amine
benzene
dicarboxylic acid derivative
pyrimidine
polyol
secondary carboxylic acid amide
carboxamide group
hemiaminal
tertiary amine
secondary amine
carboxylic acid derivative
polyamine
carboxylic acid
enolate
primary amine
amine
organonitrogen compound
logP
-1.3
ALOGPS
logS
-3.4
ALOGPS
Water Solubility
2.08e-01 g/l
ALOGPS
logP
-4
ChemAxon
IUPAC Name
(2R)-2-{[4-({[(6R)-2-amino-5-(hydroxymethyl)-4-oxo-1,4,5,6-tetrahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid
ChemAxon
Traditional IUPAC Name
(2R)-2-{[4-({[(6R)-2-amino-5-(hydroxymethyl)-4-oxo-1,6-dihydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid
ChemAxon
Molecular Weight
473.4393
ChemAxon
Monoisotopic Weight
473.165896125
ChemAxon
SMILES
NC1=NC(=O)C2=C(N1)N=C[C@@H](CNC1=CC=C(C=C1)C(=O)N[C@H](CCC(O)=O)C(O)=O)N2CO
ChemAxon
Molecular Formula
C20H23N7O7
ChemAxon
InChI
InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,8,12-13,22,28H,5-7,9H2,(H,24,31)(H,29,30)(H,33,34)(H3,21,25,26,32)/t12-,13-/m1/s1
ChemAxon
InChIKey
InChIKey=IIEPLRAFVCMHQF-CHWSQXEVSA-N
ChemAxon
Polar Surface Area (PSA)
219.04
ChemAxon
Refractivity
127.25
ChemAxon
Polarizability
45.8
ChemAxon
Rotatable Bond Count
10
ChemAxon
H Bond Acceptor Count
13
ChemAxon
H Bond Donor Count
7
ChemAxon
pKa (strongest acidic)
3.38
ChemAxon
pKa (strongest basic)
5.22
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936496
PubChem Substance
46505894
ChemSpider
2618978
PDB
THF
BE0000331
Serine hydroxymethyltransferase, cytosolic
Human
# 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
# 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
Serine hydroxymethyltransferase, cytosolic
Amino acid transport and metabolism
Interconversion of serine and glycine
SHMT1
17p11.2
Cytoplasm
None
7.77
53083.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:10850
GenAtlas
SHMT1
GeneCards
SHMT1
GenBank Gene Database
L11931
GenBank Protein Database
307422
UniProtKB
P34896
UniProt Accession
GLYC_HUMAN
EC 2.1.2.1
Glycine hydroxymethyltransferase
Serine methylase
SHMT
>Serine hydroxymethyltransferase, cytosolic
MTMPVNGAHKDADLWSSHDKMLAQPLKDSDVEVYNIIKKESNRQRVGLELIASENFASRA
VLEALGSCLNNKYSEGYPGQRYYGGTEFIDELETLCQKRALQAYKLDPQCWGVNVQPYSG
SPANFAVYTALVEPHGRIMGLDLPDGGHLTHGFMTDKKKISATSIFFESMPYKVNPDTGY
INYDQLEENARLFHPKLIIAGTSCYSRNLEYARLRKIADENGAYLMADMAHISGLVAAGV
VPSPFEHCHVVTTTTHKTLRGCRAGMIFYRKGVKSVDPKTGKEILYNLESLINSAVFPGL
QGGPHNHAIAGVAVALKQAMTLEFKVYQHQVVANCRALSEALTELGYKIVTGGSDNHLIL
VDLRSKGTDGGRAEKVLEACSIACNKNTCPGDRSALRPSGLRLGTPALTSRGLLEKDFQK
VAHFIHRGIELTLQIQSDTGVRATLKEFKERLAGDKYQAAVQALREEVESFASLFPLPGL
PDF
>1452 bp
ATGACGATGCCAGTCAACGGGGCCCACAAGGATGCTGACCTGTGGTCCTCACATGACAAG
ATGCTGGCACAACCCCTCAAAGACAGTGATGTTGAGGTTTACAACATCATTAAGAAGGAG
AGTAACCGGCAGAGGGTTGGATTGGAGCTGATTGCCTCGGAGAATTTCGCCAGCCGAGCA
GTTTTGGAGGCCCTAGGCTCTTGCTTAAATAACAAATACTCTGAGGGGTACCCGGGCCAG
AGATACTATGGCGGGACTGAGTTTATTGATGAACTGGAGACCCTCTGTCAGAAGCGAGCC
CTGCAGGCCTATAAGCTGGACCCACAGTGCTGGGGGGTCAACGTCCAGCCCTACTCAGGC
TCCCCTGCAAACTTTGCTGTGTACACTGCCCTGGTGGAACCCCATGGGCGCATCATGGGC
CTGGACCTTCCGGATGGGGGCCACCTGACCCATGGGTTCATGACAGACAAGAAGAAAATC
TCTGCCACGTCCATCTTCTTTGAATCTATGCCCTACAAGGTGAACCCAGATACTGGCTAC
ATCAACTATGACCAGCTGGAGGAGAACGCACGCCTCTTCCACCCGAAGCTGATCATCGCA
GGAACCAGCTGCTACTCCCGAAACCTGGAATATGCCCGGCTACGGAAGATTGCAGATGAG
AACGGGGCGTATCTCATGGCGGACATGGCTCACATCAGCGGGCTGGTGGCGGCTGGCGTG
GTGCCCTCCCCATTTGAACACTGCCATGTGGTGACCACCACCACTCACAAGACCCTGCGA
GGCTGCCGAGCTGGCATGATCTTCTACAGGAAAGGAGTGAAAAGTGTGGATCCCAAGACT
GGCAAAGAGATTCTGTACAACCTGGAGTCTCTTATCAATTCTGCTGTGTTCCCTGGCCTG
CAGGGAGGTCCCCACAACCACGCCATTGCTGGGGTTGCTGTGGCACTGAAGCAAGCTATG
ACTCTGGAATTTAAAGTTTATCAACACCAGGTGGTGGCCAACTGCAGGGCTCTGTCTGAG
GCCCTGACGGAGCTGGGCTACAAAATAGTCACAGGTGGTTCTGACAACCATTTGATCCTT
GTGGATCTCCGTTCCAAAGGCACAGATGGTGGAAGGGCTGAGAAGGTGCTAGAAGCCTGT
TCTATTGCCTGCAACAAGAACACCTGTCCAGGTGACAGAAGCGCTCTGCGGCCCAGTGGA
CTGCGGCTGGGGACCCCAGCACTGACGTCCCGTGGACTTTTGGAAAAAGACTTCCAAAAA
GTAGCCCACTTTATTCACAGAGGGATAGAGCTGACCCTGCAGATCCAGAGCGACACTGGT
GTCAGAGCCACCCTGAAAGAGTTCAAGGAGAGACTGGCAGGGGATAAGTACCAGGCGGCC
GTGCAGGCTCTCCGGGAGGAGGTTGAGAGCTTCGCCTCTCTCTTCCCTCTGCCTGGCCTG
CCTGACTTCTAA
PF00464
SHMT
function
glycine hydroxymethyltransferase activity
function
transferase activity
function
transferase activity, transferring one-carbon groups
function
methyltransferase activity
function
catalytic activity
process
metabolism
process
cellular metabolism
process
amino acid metabolism
process
amino acid and derivative metabolism
process
serine family amino acid metabolism
process
glycine metabolism
process
physiological process
process
L-serine metabolism
BE0001906
Probable 5-formyltetrahydrofolate cyclo-ligase
Mycoplasma pneumoniae (strain ATCC 29342 / M129)
# 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
Probable 5-formyltetrahydrofolate cyclo-ligase
Coenzyme transport and metabolism
MPN_348
None
7.25
19266.0
Mycoplasma pneumoniae (strain ATCC 29342 / M129)
GenBank Gene Database
U00089
GenBank Protein Database
1674179
UniProtKB
P75430
UniProt Accession
MTHFS_MYCPN
H91_orf164
>Hypothetical protein MG245 homolog
MDKNALRKQILQKRMALSTIEKSHLDQKINQKLVAFLTPKPCIKTIALYEPIKNEVTFVD
FFFEFLKINQIRAVYPKVISDTEIIFIDQETNTFEPNQIDCFLIPLVGFNKDNYRLGFGK
GYYDRYLMQLTRQQPKIGIAYSFQKGDFLADPWDVQLDLIINDE
>495 bp
ATGGACAAAAATGCCTTAAGAAAACAAATTCTGCAAAAAAGAATGGCATTAAGTACCATT
GAAAAAAGTCACTTAGATCAAAAGATTAATCAAAAATTAGTTGCTTTTTTAACTCCTAAG
CCATGCATTAAAACAATTGCACTTTATGAACCCATTAAAAATGAGGTTACTTTTGTTGAC
TTCTTCTTTGAGTTTTTAAAGATTAACCAAATAAGAGCTGTTTACCCCAAGGTAATAAGT
GATACCGAAATTATCTTTATTGATCAGGAGACAAATACATTCGAACCTAATCAAATAGAC
TGCTTCCTAATACCATTGGTAGGCTTTAATAAAGACAATTACCGTCTAGGCTTTGGCAAG
GGCTATTATGACCGTTATTTAATGCAATTAACTAGACAACAACCTAAAATAGGAATAGCG
TACAGTTTCCAAAAAGGTGATTTTTTAGCCGATCCTTGGGATGTACAACTAGACTTAATT
ATTAATGATGAATAG
PF01812
5-FTHF_cyc-lig
function
catalytic activity
process
metabolism
process
physiological process
"
|
| 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