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CHEBI:133317 - 6'-O-mycolyltrehalose-6'phosphate

ChEBI IDCHEBI:133317
ChEBI Name6'-O-mycolyltrehalose-6'phosphate
Stars
ASCII Name6'-O-mycolyltrehalose-6'phosphate
DefinitionA trehalose monomycolate that is α,α-trehalose 6-phosphate carrying an additional mycolyl substituent at position 6'.
Last Modified17 February 2017
Submittermwilliams
DownloadsMolfile
FormulaC90H173O16P
Net Charge0
Average Mass1542.332
Monoisotopic Mass1541.24613
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C90H173O16P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-34-38-42-50-56-62-68-78(88(98)102-72-80-82(92)84(94)86(96)89(104-80)106-90-87(97)85(95)83(93)81(105-90)73-103-107(99,100)101)79(91)69-63-57-51-43-39-35-31-33-37-41-47-53-59-65-75-71-77(75)67-61-55-49-45-44-48-54-60-66-76-70-74(76)64-58-52-46-40-36-32-29-20-18-16-14-12-10-8-6-4-2/h74-87,89-97H,3-73H2,1-2H3,(H2,99,100,101)/t74?,75?,76?,77?,78?,79-,80-,81-,82-,83-,84+,85+,86-,87-,89-,90-/m1/s1
InChIKeyGXOBNDAJNVBERI-BGZCIIMLSA-N
Species of MetaboliteComponentSourceComments
Glycine max (ncbitaxon:3847)
- MetaboLights (MTBLS118)
- PubMed (25369450)
- MetaboLights (MTBLS117)
ChEBI Ontology
Outgoing Relation(s)
6'-O-mycolyltrehalose-6'phosphate (CHEBI:133317) is a monoacyl α,α-trehalose (CHEBI:62546)
6'-O-mycolyltrehalose-6'phosphate (CHEBI:133317) is a trehalose monomycolate (CHEBI:60486)
6'-O-mycolyltrehalose-6'phosphate (CHEBI:133317) is a trehalose phosphate (CHEBI:27084)
IUPAC Name 
6-O-phosphono-α-D-glucopyranosyl 6-O-{2-[(1R)-1-hydroxy-16-{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl}hexadecyl]octacosanoyl}-α-D-glucopyranoside
Synonym  Source
6'-mycolyl-α,α-trehalose-6-phosphateChEBI