galactosyl-(glucosyl)3-(heptosyl)3-Kdo2-lipid A-bisphosphate

galactosyl-(glucosyl)<sub>3</sub>-(heptosyl)<sub>3</sub>-Kdo<sub>2</sub>-lipid A-bisphosphate




Chemical Formula:
C155H270N2O83P4
Molecular Weight:
3613.696 Daltons
Monoisotopic Mass:
3621.6701166727 Daltons
SMILES:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC%10(C(C(OC(COC9(C(=O)[O-])(O[CH](C(O)CO)C(OC7(O[CH](C(O)CO)C(OP([O-])([O-])=O)C(OC6(O[CH](C(COC1(O[CH](C(O)CO)C(O)C(O)C(O)1))O)C(OP([O-])(=O)[O-])C(OC5(OC(COC2(OC(CO)C(O)C(O)C(O)2))C(O)C(OC4(OC(CO)C(O)C(O)C(OC3(OC(CO)C(O)C(O)C(O)3))4))C(O)5))C(O)6))C(O)7))C(OC8(O[CH](C(CO)O)C(O)C(O)C8)C(=O)[O-])C9))C%10OP([O-])([O-])=O)OCC%11(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)C(NC(=O)CC(O)CCCCCCCCCCC)C(OP([O-])([O-])=O)O%11))NC(CC(OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
InChI:
1S/C155H280N2O83P4/c1-7-13-19-25-31-37-38-44-50-56-62-68-106(176)217-89(66-60-54-48-42-35-29-23-17-11-5)72-108(178)225-136-110(157-104(174)71-88(65-59-53-47-41-34-28-22-16-10-4)216-105(175)67-61-55-49-43-36-30-24-18-12-6)143(213-83-100-115(183)135(224-107(177)70-87(166)64-58-52-46-40-33-27-21-15-9-3)109(144(221-100)240-244(209,210)211)156-103(173)69-86(165)63-57-51-45-39-32-26-20-14-8-2)223-102(134(136)237-241(200,201)202)85-215-154(152(196)197)74-96(234-155(153(198)199)73-90(167)111(179)129(235-155)92(169)76-159)133(132(236-154)94(171)78-161)229-149-126(194)138(141(238-242(203,204)205)130(227-149)93(170)77-160)232-150-127(195)139(142(239-243(206,207)208)131(228-150)95(172)82-212-146-123(191)119(187)121(189)128(226-146)91(168)75-158)231-148-125(193)137(116(184)101(222-148)84-214-145-122(190)117(185)112(180)97(79-162)218-145)230-151-140(120(188)114(182)99(81-164)220-151)233-147-124(192)118(186)113(181)98(80-163)219-147/h86-102,109-151,158-172,179-195H,7-85H2,1-6H3,(H,156,173)(H,157,174)(H,196,197)(H,198,199)(H2,200,201,202)(H2,203,204,205)(H2,206,207,208)(H2,209,210,211)/p-10/t86-,87-,88-,89-,90-,91+,92-,93+,94-,95-,96-,97-,98-,99-,100-,101-,102-,109-,110-,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-,154-,155-/m1/s1
InChIKey:
DNFPUONWCBGXPM-XPYORZHASA-D

Synonyms
  • Rb1 LPS

Databases
MetaCyc:  CPD0-938
PubChem (CID):  90657670 134820093
ChEBI:  62003
Seed:  cpd26544
MetaNetX:  MNXM3600