Heptadecasphinganine-1-phosphate

Base Information

• Chemical Name: Heptadecasphinganine-1-phosphate
• CAS No.: 474923-29-0
• Molecular Formula: C17H38NO5P
• Molecular Weight: 367.5
• Wikidata: Q76280598
• Metabolomics Workbench ID: 30492
• Mol file: 474923-29-0.mol

Synonyms:heptadecasphinganine-1-phosphate;474923-29-0;Sphinganine-1-Phosphate (d17:0);C17 Sphinganine-1-phosphate;D-erythro-sphinganine-1-phosphate (C17 base);[(2S,3R)-2-amino-3-hydroxyheptadecyl] dihydrogen phosphate;SCHEMBL22910694;LMSP01050008;sphinganine-1-phosphate (C17 base);AKOS040756136;1,3-Heptadecanediol,2-amino-,1-(dihydrogenphosphate),(2S,3R)-;1,3-Heptadecanediol, 2-amino-, 1-(dihydrogen phosphate), (2S,3R)-

Chemical Property of Heptadecasphinganine-1-phosphate

Chemical Property:

• PKA: 1.76±0.10(Predicted)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 17
• Exact Mass: 367.24876031
• Heavy Atom Count: 24
• Complexity: 324

Purity/Quality:

99% ^*data from raw suppliers

Sphinganine-C17-1-phosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCC(C(COP(=O)(O)O)N)O
• Isomeric SMILES: CCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)N)O
• Uses: Sphinganine-C17-1-phosphate is a biomarker for Fusarium verticillioides-induced seedling diseases.