Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 22:46:55 UTC
Update Date2022-08-31 06:23:20 UTC
Metabolite IDMMDBc0005031
Metabolite Identification
Common NameManpβ1‐2inositol1‐phospho‐ceramide
DescriptionManpbeta1-2inositol1-phospho-ceramide belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety. Based on a literature review very few articles have been published on Manpbeta1-2inositol1-phospho-ceramide.
Structure
SynonymsNot Available
Molecular FormulaC18H34NO16P
Average Mass551.435
Monoisotopic Mass551.161521017
IUPAC NameN-[3-hydroxy-1-({hydroxy[(2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]phosphoryl}oxy)butan-2-yl]ethanimidic acid
Traditional NameN-(3-hydroxy-1-{[hydroxy((2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy)phosphoryl]oxy}butan-2-yl)ethanimidic acid
CAS Registry NumberNot Available
SMILES
CC(O)C(COP(O)(=O)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)N=C(C)O
InChI Identifier
InChI=1S/C18H34NO16P/c1-5(21)7(19-6(2)22)4-32-36(30,31)35-17-13(27)11(25)16(12(26)14(17)28)34-18-15(29)10(24)9(23)8(3-20)33-18/h5,7-18,20-21,23-29H,3-4H2,1-2H3,(H,19,22)(H,30,31)
InChI KeyOUCGOGPSPXCCDF-UHFFFAOYSA-N