| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2006 | 22 | No |
Popular Name: Phytosphingosine Phytosphingosine
Find On: PubMed — Wikipedia — Google
CAS Number: 554-62-1
4-D-Hydroxysphinganine; 554-62-1; C12144; Phytosphingosine
4-hydroxysphinganine; 4-hydroxysphinganine(1+); 4-hydroxysphinganinium(1+); phytosphingosinium(1+)
| 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) | 4.25 | -7.6 | -39.68 | 6 | 4 | 1 | 88 | 318.522 | 16 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | ACER1_HUMAN; ACER1_MOUSE; ACER3_HUMAN; ACER3_MOUSE; DGK1_YEAST; LCB4_SCHPO; LCB4_YEAST; LCB5_YEAST; LCBK1_ARATH; LCKB2_ARATH; SBH1_ARATH; SBH2_ARATH; SPHK1_ARATH; SPHK2_ARATH; YDC1_YEAST; YPC1_YEAST; YPK1_YEAST; YPK2_YEAST | ChEBI |
| PUBCHEM_PATENT_ID | EP0072286A1; EP0072286B2; EP0207984A1; EP0207984B1; EP0282564A1; EP0373038A2; EP0373038B1; EP0420722A2; EP0420722B1; EP0452995A2; EP0452995A3; EP0633875A1; EP0633875B1; EP0651817A1; EP0651817B1; EP0667853A1; EP0667853B1; EP0688871A2; EP0695167A1; EP069516 | IBM Patent Data |
| Patent Database Links | EP1452520; EP1576894; EP1618876; EP1661562; EP1714644; EP1738747; EP1923060; US2005143346; US2007207983; US2007238764; US2008085939; WO2007104981 | ChEBI |
| UniProt Database Links | LCBK1_ARATH; SBH1_ARATH; SBH2_ARATH; SPHK1_ARATH; SPHK2_ARATH | ChEBI |
| Reactome Database Links | REACT_19134 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81072-7-O | Jurkat (Acute Leukemic T-cells) (cluster #7 Of 10), Other | Other | 3750 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 3750 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Sphingolipid de novo biosynthesis | |
| Sphingolipid metabolism |
No pre-computed analogs available. Try a structural similarity search.