6-O-trans-keto-mycolyl-trehalose 6-phosphate
Chemical Formula:
C98H187O17P
Molecular Weight:
1668.519 Daltons
Monoisotopic Mass:
1669.3662411526 Daltons
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC2(C(O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(COP(=O)([O-])[O-])O1))O2))C(O)CCCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)
InChI:
1S/C98H189O17P/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-39-45-51-57-63-69-75-84(96(107)111-79-88-90(101)92(103)94(105)97(113-88)115-98-95(106)93(104)91(102)89(114-98)80-112-116(108,109)110)87(100)77-71-65-59-53-47-41-35-33-38-44-50-56-62-68-74-83-78-85(83)81(3)72-66-60-54-48-42-36-32-34-40-46-52-58-64-70-76-86(99)82(4)73-67-61-55-49-43-37-30-20-18-16-14-12-10-8-6-2/h81-85,87-95,97-98,100-106H,5-80H2,1-4H3,(H2,108,109,110)/p-2/t81?,82?,83?,84?,85?,87-,88-,89-,90-,91-,92+,93+,94-,95-,97-,98-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD1G-774
PubChem (CID):
90658437
Seed:
cpd26590
MetaNetX:
MNXM10385