CHEBI:229471 - PE-GlcCer 16:0(3OH,4OH,14Me)/24:0(2OH)

ChEBI IDCHEBI:229471
ChEBI NamePE-GlcCer 16:0(3OH,4OH,14Me)/24:0(2OH)
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC49H99N2O13P
Net Charge0
Average Mass955.306
Monoisotopic Mass954.68848
SMILESCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO[C@@H]1O[C@H](COP(=O)(O)OCCN)[C@@H](O)[C@H](O)[C@H]1O)C(O)C(O)CCCCCCCCCCC(C)C
InChIInChI=1S/C49H99N2O13P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-42(53)48(58)51-40(44(54)41(52)33-30-27-24-22-21-23-26-29-32-39(2)3)37-61-49-47(57)46(56)45(55)43(64-49)38-63-65(59,60)62-36-35-50/h39-47,49,52-57H,4-38,50H2,1-3H3,(H,51,58)(H,59,60)/t40?,41?,42?,43-,44?,45-,46+,47-,49-/m1/s1
InChIKeyVHRCWGYGDWZLHC-LVKNOVMVSA-N
Species of MetaboliteComponentSourceComments
Caenorhabditis elegans (ncbitaxon:6239) - PubMed (28369040)
ChEBI Ontology
Outgoing Relation(s)
PE-GlcCer 16:0(3OH,4OH,14Me)/24:0(2OH) (CHEBI:229471) is a organic molecular entity (CHEBI:50860)