| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 9th, 2009 | 33 | Yes |
Popular Name: LMSR LMSR
Find On: PubMed — Wikipedia — Google
CAS Numbers: 134-35-0 , 151533-22-1 , 26560-38-3 , 31690-09-2
(6S)-5-methyl-5,6,7,8-tetrahydrofolate; (6S)-5-methyltetrahydrofolate
134-35-0; 5-Methyltetrahydrofolate; C00440
151533-22-1; D09354; Levomefolate calcium (USAN); Levomefolinate calcium; Metafolin (TN)
CPD0-2045; N5-methyltetrahydropteroylmonoglutamate
Levomefolic Acid (USAN); Levomefolate Calcium (USAN
N-(5-methyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -2.42 | 4.74 | -137.95 | 6 | 13 | -2 | 208 | 457.447 | 9 | ↓ |
| Ref Reference (pH 7) | -2.42 | 5.55 | -132.1 | 7 | 13 | -1 | 210 | 458.455 | 9 | ↓ |
| Mid Mid (pH 6-8) | -2.42 | 4.87 | -141.93 | 7 | 13 | -1 | 210 | 458.455 | 9 | ↓ |
| Lo Low (pH 4.5-6) | -2.42 | 2.8 | -80.08 | 7 | 13 | -1 | 206 | 458.455 | 9 | ↓ |
| Lo Low (pH 4.5-6) | -2.42 | 2.86 | -96.42 | 8 | 13 | 0 | 207 | 459.463 | 9 | ↓ |
| Lo Low (pH 4.5-6) | -2.42 | 3.54 | -85.51 | 8 | 13 | 0 | 207 | 459.463 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.32e-01 g/l | DrugBank-experimental |
| UniProt Database Links | ACSE_MOOTH; FOLC_MOUSE; FOLR1_BOVIN; FOLR1_HUMAN; FOLR1_MOUSE; FOLR2_HUMAN; FOLR2_MOUSE; FOLR3_HUMAN; GNMT_RAT; METE1_ARATH; METE1_ORYSJ; METE2_ARATH; METE2_ORYSJ; METE3_ARATH; METE_ACICJ; METE_ACIF2; METE_ACIF5; METE_ACTP2; METE_ACTP7; METE_ACTPJ; METE_A | ChEBI |
| PUBCHEM_PATENT_ID | EP0266042A2; EP0269352A2; EP0269352B1; EP0482493A2; EP0486118B1; EP0608002A1; EP0675719A1; EP0675719B1; EP0757794B1; EP0789708A1; EP0835660A1; EP1053000A1; US3972991; US3983118; US4078972; US4959472; US5124452; US5223500; US5508271; US5563126; US5716941 | IBM Patent Data |
| UniProt Database Links | METF_AQUAE; METF_BUCAI; METF_BUCAP; METF_BUCBP; METF_ECOLI; METF_HAEIN; METF_NEIMB; METF_PECCC; METF_SALTY; METF_SHIFL; METF_STRLI; METH_ALIFS; METH_BOVIN; METH_CAEBR; METH_CAEEL; METH_DICDI; METH_ECOLI; METH_HUMAN; METH_MOUSE; METH_MYCLE; METH_MYCTU; MET | ChEBI |
| Reactome Database Links | REACT_11098; REACT_11162; REACT_163641 | ChEBI |
| Patent Database Links | WO2005065018 | ChEBI |
| Description | Species |
|---|---|
| Cobalamin (Cbl, vitamin B12) transport and metabolism | |
| Defective MTR causes methylmalonic aciduria and homocystinuria type cblG | |
| Metabolism of folate and pterines |
|
