α, α'-trehalose 6-α-mycolate
Chemical Formula:
C90H172O13
Molecular Weight:
1462.341 Daltons
Monoisotopic Mass:
1461.2797956084999 Daltons
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCC2(CC(CCCCCCCCCCC1(CC(CCCCCCCCCCCCCCCCCC)1))2))C(=O)OCC3(OC(C(C(C3O)O)O)OC4(C(C(C(C(O4)CO)O)O)O))
InChI:
1S/C90H172O13/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(99)100-73-81-83(94)85(96)87(98)90(102-81)103-89-86(97)84(95)82(93)80(72-91)101-89)79(92)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/h74-87,89-98H,3-73H2,1-2H3/t74?,75?,76?,77?,78?,79-,80-,81-,82-,83-,84+,85+,86-,87-,89-,90-/m1/s1
InChIKey:
Synonyms
- trehalose 6-α-monomycolate
- trehalose-mono-α-mycolate
Databases
MetaCyc:
CPD1G-1344
PubChem (CID):
90658750
LIPID MAPS:
LMFA01160001
ChEBI:
18234
KEGG:
C04218
MetaNetX:
MNXM147327