6-O-α-mycolyl-trehalose 6-phosphate
Chemical Formula:
C90H171O16P
Molecular Weight:
1540.305 Daltons
Monoisotopic Mass:
1541.2461260169 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)COP([O-])(=O)[O-])O)O)O))
InChI:
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)/p-2/t74?,75?,76?,77?,78?,79-,80-,81-,82-,83-,84+,85+,86-,87-,89-,90-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD1G-768
PubChem (CID):
90659176
Seed:
cpd26586
ChEBI:
133317
MetaNetX:
MNXM10383