6-O-cis-keto-mycolyl-β-D-mannopyranosyl-1-phosphoheptaprenol
Chemical Formula:
C127H234O12P
Molecular Weight:
1984.212 Daltons
Monoisotopic Mass:
1983.7516195187 Daltons
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCC(C(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))=O)C(O)CCCCCCCCCCCCCCCCCCCC2(CC(CCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCCCC)C)2)
InChI:
1S/C127H235O12P/c1-12-14-16-18-20-22-24-26-28-30-31-32-33-34-37-41-48-54-60-66-72-78-102-119(126(133)136-108-122-123(130)124(131)125(132)127(138-122)139-140(134,135)137-106-105-115(10)98-86-97-114(9)96-85-95-113(8)94-84-93-112(7)92-83-91-111(6)90-82-89-110(5)88-81-87-109(3)4)121(129)104-80-74-68-62-56-50-42-38-35-36-40-46-52-58-64-70-76-100-117-107-118(117)101-77-71-65-59-53-47-43-44-49-55-61-67-73-79-103-120(128)116(11)99-75-69-63-57-51-45-39-29-27-25-23-21-19-17-15-13-2/h87,89,91,93,95,97,105,116-119,121-125,127,129-132H,12-86,88,90,92,94,96,98-104,106-108H2,1-11H3,(H,134,135)/p-1/b110-89+,111-91+,112-93+,113-95+,114-97+,115-105+/t116?,117?,118?,119?,121-,122-,123-,124+,125+,127-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD1G-107
PubChem (CID):
90659319
Seed:
cpd26564
MetaNetX:
MNXM10380