glucosyl-(heptosyl)3-glucosyluronate-Kdo2-lipid A-phosphate
Chemical Formula:
C143H248N2O71P3
Molecular Weight:
3224.424 Daltons
Monoisotopic Mass:
3231.5774039591997 Daltons
SMILES:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC8(C(C(OC(COC7(C(=O)[O-])(O[CH](C(O)CO)C(OC5(O[CH](C(O)CO)C(OP([O-])([O-])=O)C(OC4(O[CH](C(COC2(O[CH](C(O)COC1(OC(C([O-])=O)C(O)C(O)C(O)1))C(O)C(O)C(O)2))O)C(O)C(OC3(OC(CO)C(O)C(O)C(O)3))C(O)4))C(O)5))C(OC6(O[CH](C(CO)O)C(O)C(O)C6)C(=O)[O-])C7))C8OP([O-])([O-])=O)OCC9(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)C(NC(=O)CC(O)CCCCCCCCCCC)C(OP([O-])([O-])=O)O9))NC(CC(OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)
InChI:
1S/C143H257N2O71P3/c1-7-13-19-25-31-37-38-44-50-56-62-68-100(161)198-86(66-60-54-48-42-35-29-23-17-11-5)72-102(163)203-127-104(145-98(159)71-85(65-59-53-47-41-34-28-22-16-10-4)197-99(160)67-61-55-49-43-36-30-24-18-12-6)133(195-81-95-107(166)126(202-101(162)70-84(151)64-58-52-46-40-33-27-21-15-9-3)103(134(200-95)216-219(190,191)192)144-97(158)69-83(150)63-57-51-45-39-32-26-20-14-8-2)201-96(125(127)214-217(184,185)186)82-196-142(140(180)181)74-93(211-143(141(182)183)73-87(152)105(164)121(212-143)88(153)75-146)124(123(213-142)90(155)77-148)207-139-118(177)129(131(215-218(187,188)189)122(206-139)89(154)76-147)209-138-117(176)128(208-137-115(174)108(167)106(165)94(78-149)199-137)116(175)120(205-138)92(157)80-193-135-113(172)109(168)111(170)119(204-135)91(156)79-194-136-114(173)110(169)112(171)130(210-136)132(178)179/h83-96,103-131,133-139,146-157,164-177H,7-82H2,1-6H3,(H,144,158)(H,145,159)(H,178,179)(H,180,181)(H,182,183)(H2,184,185,186)(H2,187,188,189)(H2,190,191,192)/p-9/t83-,84-,85-,86-,87-,88-,89+,90-,91+,92-,93-,94-,95-,96-,103-,104-,105-,106-,107-,108+,109+,110+,111+,112+,113+,114-,115-,116-,117+,118+,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+,129-,130+,131-,133-,134-,135+,136+,137-,138+,139-,142-,143-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-15237
PubChem (CID):
134820436