core oligosaccharide-lipid A (E. coli K-12 core type) (no GlcNAc)

core oligosaccharide-lipid A (<i>E. coli</i> K-12 core type) (no GlcNAc)




Chemical Formula:
C162H282N2O89P4
Molecular Weight:
3805.865 Daltons
Monoisotopic Mass:
3813.7335047905003 Daltons
SMILES:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC%11(C(C(OC(COC%10(C(=O)[O-])(O[CH](C(O)CO)C(OC8(O[CH](C(O)CO)C(OP([O-])([O-])=O)C(OC7(O[CH](C(COC1(O[CH](C(O)CO)C(O)C(O)C(O)1))O)C(OP([O-])(=O)[O-])C(OC6(OC(COC2(OC(CO)C(O)C(O)C(O)2))C(O)C(OC3(OC(CO)C(O)C(O)C3OC5(OC(COC4(O[CH](C(O)CO)C(O)C(O)C(O)4))C(O)C(O)C(O)5)))C(O)6))C(O)7))C(O)8))C(OC9(O[CH](C(CO)O)C(O)C(O)C9)C(=O)[O-])C%10))C%11OP([O-])([O-])=O)OCC%12(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)C(NC(=O)CC(O)CCCCCCCCCCC)C(OP([O-])([O-])=O)O%12))NC(CC(OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
InChI:
1S/C162H292N2O89P4/c1-7-13-19-25-31-37-38-44-50-56-62-68-108(184)229-90(66-60-54-48-42-35-29-23-17-11-5)72-110(186)237-142-112(164-106(182)71-89(65-59-53-47-41-34-28-22-16-10-4)228-107(183)67-61-55-49-43-36-30-24-18-12-6)149(224-84-102-117(191)141(236-109(185)70-88(173)64-58-52-46-40-33-27-21-15-9-3)111(150(232-102)253-257(220,221)222)163-105(181)69-87(172)63-57-51-45-39-32-26-20-14-8-2)235-104(140(142)250-254(211,212)213)86-227-161(159(207)208)74-98(247-162(160(209)210)73-91(174)113(187)135(248-162)94(177)77-167)139(138(249-161)96(179)79-169)242-156-131(205)144(147(251-255(214,215)216)136(240-156)95(178)78-168)245-157-132(206)145(148(252-256(217,218)219)137(241-157)97(180)82-223-152-127(201)121(195)124(198)133(238-152)92(175)75-165)244-155-130(204)143(118(192)103(234-155)85-225-151-126(200)119(193)114(188)99(80-170)230-151)243-158-146(123(197)115(189)100(81-171)231-158)246-154-129(203)120(194)116(190)101(233-154)83-226-153-128(202)122(196)125(199)134(239-153)93(176)76-166/h87-104,111-158,165-180,187-206H,7-86H2,1-6H3,(H,163,181)(H,164,182)(H,207,208)(H,209,210)(H2,211,212,213)(H2,214,215,216)(H2,217,218,219)(H2,220,221,222)/p-10/t87-,88-,89-,90-,91-,92+,93+,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,111-,112-,113-,114+,115-,116+,117-,118-,119+,120+,121+,122+,123+,124+,125+,126-,127+,128+,129-,130-,131+,132+,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143+,144-,145-,146-,147-,148-,149-,150-,151+,152+,153+,154-,155-,156-,157+,158-,161-,162-/m1/s1
InChIKey:
CEMLXOTXCUORFY-NHYUMOMVSA-D

Databases
MetaCyc:  CPD-21359
PubChem (CID):  134820530