6-O-trans-keto-mycolyl-β-D-mannopyranosyl-1-phosphoheptaprenol
Chemical Formula:
C127H234O12P
Molecular Weight:
1984.212 Daltons
Monoisotopic Mass:
1983.7516195187 Daltons
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC1(OC(C(O)C(O)C(O)1)OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C))C(O)CCCCCCCCCCCCCCCCC2(CC2C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)
InChI:
1S/C127H235O12P/c1-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-37-39-47-53-59-65-71-77-101-118(126(133)136-107-122-123(130)124(131)125(132)127(138-122)139-140(134,135)137-105-104-114(10)97-85-96-113(9)95-84-94-112(8)93-83-92-111(7)91-82-90-110(6)89-81-88-109(5)87-80-86-108(3)4)121(129)103-79-73-67-61-55-49-43-41-46-52-58-64-70-76-100-117-106-119(117)115(11)98-74-68-62-56-50-44-40-42-48-54-60-66-72-78-102-120(128)116(12)99-75-69-63-57-51-45-38-28-26-24-22-20-18-16-14-2/h86,88,90,92,94,96,104,115-119,121-125,127,129-132H,13-85,87,89,91,93,95,97-103,105-107H2,1-12H3,(H,134,135)/p-1/b109-88+,110-90+,111-92+,112-94+,113-96+,114-104+/t115?,116?,117?,118?,119?,121-,122-,123-,124+,125+,127-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD1G-108
PubChem (CID):
90658311
Seed:
cpd26565
MetaNetX:
MNXM10386