6-O-cis-methoxy-mycolyl-trehalose 6-phosphate
Chemical Formula:
C97H187O17P
Molecular Weight:
1656.508 Daltons
Monoisotopic Mass:
1657.3662411526 Daltons
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)COP([O-])(=O)[O-])O)O)O)))=O)C(O)CCCCCCCCCCCCCCCCCC3(C(CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)C3)
InChI:
1S/C97H189O17P/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-32-39-45-51-57-63-69-75-84(95(105)110-79-87-89(99)91(101)93(103)96(112-87)114-97-94(104)92(102)90(100)88(113-97)80-111-115(106,107)108)85(98)76-70-64-58-52-46-40-33-29-31-37-43-49-55-61-67-73-82-78-83(82)74-68-62-56-50-44-38-34-35-41-47-53-59-65-71-77-86(109-4)81(3)72-66-60-54-48-42-36-30-22-20-18-16-14-12-10-8-6-2/h81-94,96-104H,5-80H2,1-4H3,(H2,106,107,108)/p-2/t81?,82?,83?,84?,85-,86?,87-,88-,89-,90-,91+,92+,93-,94-,96-,97-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD1G-771
PubChem (CID):
90657776
Seed:
cpd26587
MetaNetX:
MNXM10381