Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02067"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Triglu-5-Formyl-Tetrahydrofolate"
|
| rdf:type | |
| ns1: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
Hippuric Acid Derivatives
N-acyl-alpha Amino Acids
Benzoyl Derivatives
Amino Fatty Acids
Pyrimidones
Primary Aromatic Amines
Tertiary Carboxylic Acid Amides
Polyols
Tertiary Amines
Secondary Carboxylic Acid Amides
Enolates
Carboxylic Acids
Secondary Amines
Polyamines
n-acyl-alpha-amino acid
n-acyl-alpha amino acid or derivative
hippurate
alpha-amino acid or derivative
benzamide
benzoyl
pyrimidone
primary aromatic amine
benzene
pyrimidine
tertiary carboxylic acid amide
secondary carboxylic acid amide
carboxamide group
polyol
tertiary amine
secondary amine
carboxylic acid derivative
enolate
carboxylic acid
polyamine
primary amine
amine
organonitrogen compound
logP
-1.8
ALOGPS
logS
-3.3
ALOGPS
Water Solubility
3.68e-01 g/l
ALOGPS
logP
-5.6
ChemAxon
IUPAC Name
(2R)-2-[(4S)-4-[(4R)-4-{[4-({[(6R)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
ChemAxon
Traditional IUPAC Name
(2R)-2-[(4S)-4-[(4R)-4-{[4-({[(6R)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
ChemAxon
Molecular Weight
731.6673
ChemAxon
Monoisotopic Weight
731.251082315
ChemAxon
SMILES
NC1=NC2=C(N(C=O)[C@H](CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)CN2)C(=O)N1
ChemAxon
Molecular Formula
C30H37N9O13
ChemAxon
InChI
InChI=1S/C30H37N9O13/c31-30-37-24-23(26(46)38-30)39(13-40)16(12-33-24)11-32-15-3-1-14(2-4-15)25(45)36-19(29(51)52)6-9-21(42)34-17(27(47)48)5-8-20(41)35-18(28(49)50)7-10-22(43)44/h1-4,13,16-19,32H,5-12H2,(H,34,42)(H,35,41)(H,36,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H4,31,33,37,38,46)/t16-,17+,18-,19-/m1/s1
ChemAxon
InChIKey
InChIKey=ZLOMJLIQXBKNHU-FCGDIQPGSA-N
ChemAxon
Polar Surface Area (PSA)
348.35
ChemAxon
Refractivity
182.84
ChemAxon
Polarizability
70.48
ChemAxon
Rotatable Bond Count
19
ChemAxon
H Bond Acceptor Count
17
ChemAxon
H Bond Donor Count
11
ChemAxon
pKa (strongest acidic)
2.34
ChemAxon
pKa (strongest basic)
4.44
ChemAxon
Physiological Charge
-4
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936296
PubChem Substance
46506661
PDB
TGF
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
transferase activity
function
transferase activity, transferring one-carbon groups
function
methyltransferase activity
function
catalytic activity
function
glycine hydroxymethyltransferase activity
process
amino acid and derivative metabolism
process
serine family amino acid metabolism
process
glycine metabolism
process
physiological process
process
L-serine metabolism
process
metabolism
process
cellular metabolism
process
amino acid metabolism
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object