Biotin S1P

Catalog NumberBL-M000353
CAS Number799812-63-8
DescriptionSphingosine 1-phosphate biotin is a S1P analog with natural erythro stereochemistry labeled at the terminus of the alkyl chain with biotin. Biotin S1P is produced by the phosphorylation of biotinyl sphingosine by recombinant human sphingosine kinase 1 and 2 (hSK1 and hSK2).
IUPAC Name[(E,2S,3R)-18-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-azaniumyl-3-hydroxyoctadec-4-enyl] hydrogen phosphate
Synonymsomega-biotinyl D-erythro-sphingosine-1-phosphate; (2S,3R,4E)-2-Azaniumyl-3-hydroxy-18-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octadec-4-en-1-yl hydrogen phosphate
Molecular Weight620.78
Molecular FormulaC28H53N4O7PS
Purity>99%
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 54.17%, H 8.61%, N 9.03%, O 18.04%, P 4.99%, S 5.16%
Canonical SMILESC1C2C(C(S1)CCCCC(=O)NCCCCCCCCCCCCCC=CC(C(COP(=O)(O)[O-])[NH3+])O)NC(=O)N2
InChIInChI=1S/C28H53N4O7PS/c29-22(20-39-40(36,37)38)24(33)16-12-10-8-6-4-2-1-3-5-7-9-11-15-19-30-26(34)18-14-13-17-25-27-23(21-41-25)31-28(35)32-27/h12,16,22-25,27,33H,1-11,13-15,17-21,29H2,(H,30,34)(H2,31,32,35)(H2,36,37,38)/b16-12+/t22-,23-,24+,25-,27-/m0/s1
InChI KeyJHROEHVYJZWKKP-RPRIXWAOSA-N

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