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CHEBI:190139 - 1,1-difluoro-1-(β-D-mannosyl)methyl C32-phosphonomycoketide

ChEBI IDCHEBI:190139
ChEBI Name1,1-difluoro-1-(β-D-mannosyl)methyl C32-phosphonomycoketide
Stars
ASCII Name1,1-difluoro-1-(beta-D-mannosyl)methyl C32-phosphonomycoketide
DefinitionA mannose phosphate consisting of β-D-mannose having a (4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl)phosphono(difluoro)methyl group at position 1.
Last Modified10 March 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC39H77F2O8P
Net Charge0
Average Mass743.007
Monoisotopic Mass742.53241
SMILESCCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCOP(=O)(O)C(F)(F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C39H77F2O8P/c1-7-8-9-10-11-17-29(2)18-12-19-30(3)20-13-21-31(4)22-14-23-32(5)24-15-25-33(6)26-16-27-48-50(46,47)39(40,41)38-37(45)36(44)35(43)34(28-42)49-38/h29-38,42-45H,7-28H2,1-6H3,(H,46,47)/t29-,30-,31-,32-,33-,34+,35+,36-,37-,38+/m0/s1
InChIKeyWLSJJMZOYIFPGE-ICHHDKBFSA-N
ChEBI Ontology
Outgoing Relation(s)
1,1-difluoro-1-(β-D-mannosyl)methyl C32-phosphonomycoketide (CHEBI:190139) has functional parent β-D-mannosyl C32-phosphomycoketide (CHEBI:61808)
1,1-difluoro-1-(β-D-mannosyl)methyl C32-phosphonomycoketide (CHEBI:190139) is a mannose phosphate (CHEBI:21060)
IUPAC Name 
2,6-anhydro-1-deoxy-1,1-difluoro-1-(hydroxy{[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl)-D-glycero-D-galacto-heptitol
Synonyms  Source
1,1-difluoro-1-mannosylmethyl-1β-phosphonomycoketide C32ChEBI
MPM-3ChEBI
Citations