2-palmitoyl-2',3,4',6-tetramycolipenoyl-trehalose
Chemical Formula:
C136H252O16
Monoisotopic Mass:
2141.8905420428 Daltons
SMILES:
CCCCCCCCCCCCCCCCCCC(CC(C)C=C(C(OCC1(OC(C(C(C1O)OC(=O)C(C)=CC(C)CC(C)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC2(OC(C(C(C2OC(=O)C(C)=CC(C)CC(C)CCCCCCCCCCCCCCCCCC)O)OC(=O)C(C)=CC(C)CC(C)CCCCCCCCCCCCCCCCCC)CO)))=O)C)C
InChI:
1S/C136H252O16/c1-18-23-28-33-38-43-48-53-57-61-66-70-75-80-85-90-95-110(6)100-114(10)104-118(14)131(141)145-109-123-125(139)128(150-133(143)120(16)106-116(12)102-112(8)97-92-87-82-77-72-68-63-59-55-50-45-40-35-30-25-20-3)130(148-124(138)99-94-89-84-79-74-65-52-47-42-37-32-27-22-5)136(147-123)152-135-129(151-134(144)121(17)107-117(13)103-113(9)98-93-88-83-78-73-69-64-60-56-51-46-41-36-31-26-21-4)126(140)127(122(108-137)146-135)149-132(142)119(15)105-115(11)101-111(7)96-91-86-81-76-71-67-62-58-54-49-44-39-34-29-24-19-2/h104-107,110-117,122-123,125-130,135-137,139-140H,18-103,108-109H2,1-17H3/b118-104+,119-105+,120-106+,121-107+/t110?,111?,112?,113?,114?,115?,116?,117?,122-,123-,125-,126+,127-,128+,129-,130-,135-,136-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-18567
MetaNetX:
MNXM166751
PubChem (CID):
102515231