CHEBI:229470 - PE-GlcCer 16:0(3OH,4OH,14Me)/22:0(2OH)

ChEBI IDCHEBI:229470
ChEBI NamePE-GlcCer 16:0(3OH,4OH,14Me)/22:0(2OH)
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC47H95N2O13P
Net Charge0
Average Mass927.252
Monoisotopic Mass926.65718
SMILESCCCCCCCCCCCCCCCCCCCCC(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/C47H95N2O13P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-40(51)46(56)49-38(42(52)39(50)31-28-25-22-20-19-21-24-27-30-37(2)3)35-59-47-45(55)44(54)43(53)41(62-47)36-61-63(57,58)60-34-33-48/h37-45,47,50-55H,4-36,48H2,1-3H3,(H,49,56)(H,57,58)/t38?,39?,40?,41-,42?,43-,44+,45-,47-/m1/s1
InChIKeyCIJZNFNRZIHWGQ-CVWLBHCQSA-N
Species of MetaboliteComponentSourceComments
Caenorhabditis elegans (ncbitaxon:6239) - PubMed (28369040)
ChEBI Ontology
Outgoing Relation(s)
PE-GlcCer 16:0(3OH,4OH,14Me)/22:0(2OH) (CHEBI:229470) is a organic molecular entity (CHEBI:50860)