galactosyl-(glucosyl)2-(heptosyl)3-Kdo2-lipid A-bisphosphate

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




Chemical Formula:
C149H260N2O78P4
Molecular Weight:
3451.554 Daltons
Monoisotopic Mass:
3459.6172932412 Daltons
SMILES:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC9(C(C(OC(COC8(C(=O)[O-])(O[CH](C(O)CO)C(OC6(O[CH](C(O)CO)C(OP([O-])([O-])=O)C(OC5(O[CH](C(COC1(O[CH](C(O)CO)C(O)C(O)C(O)1))O)C(OP([O-])(=O)[O-])C(OC4(OC(COC2(OC(CO)C(O)C(O)C(O)2))C(O)C(OC3(OC(CO)C(O)C(O)C(O)3))C(O)4))C(O)5))C(O)6))C(OC7(O[CH](C(CO)O)C(O)C(O)C7)C(=O)[O-])C8))C9OP([O-])([O-])=O)OCC%10(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)C(NC(=O)CC(O)CCCCCCCCCCC)C(OP([O-])([O-])=O)O%10))NC(CC(OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
InChI:
1S/C149H270N2O78P4/c1-7-13-19-25-31-37-38-44-50-56-62-68-104(169)208-88(66-60-54-48-42-35-29-23-17-11-5)72-106(171)215-132-108(151-102(167)71-87(65-59-53-47-41-34-28-22-16-10-4)207-103(168)67-61-55-49-43-36-30-24-18-12-6)138(204-82-98-112(175)131(214-105(170)70-86(159)64-58-52-46-40-33-27-21-15-9-3)107(139(211-98)229-233(200,201)202)150-101(166)69-85(158)63-57-51-45-39-32-26-20-14-8-2)213-100(130(132)226-230(191,192)193)84-206-148(146(187)188)74-95(223-149(147(189)190)73-89(160)109(172)125(224-149)91(162)76-153)129(128(225-148)93(164)78-155)219-144-122(185)134(136(227-231(194,195)196)126(217-144)92(163)77-154)222-145-123(186)135(137(228-232(197,198)199)127(218-145)94(165)81-203-141-119(182)116(179)117(180)124(216-141)90(161)75-152)221-143-121(184)133(220-142-120(183)115(178)111(174)97(80-157)210-142)113(176)99(212-143)83-205-140-118(181)114(177)110(173)96(79-156)209-140/h85-100,107-145,152-165,172-186H,7-84H2,1-6H3,(H,150,166)(H,151,167)(H,187,188)(H,189,190)(H2,191,192,193)(H2,194,195,196)(H2,197,198,199)(H2,200,201,202)/p-10/t85-,86-,87-,88-,89-,90+,91-,92+,93-,94-,95-,96-,97-,98-,99-,100-,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-,132-,133+,134-,135-,136-,137-,138-,139-,140+,141+,142-,143-,144-,145+,148-,149-/m1/s1
InChIKey:
SCHCLYNSYWDAGC-VWENBBQTSA-D

Synonyms
  • Rb2 LPS

Databases
MetaCyc:  CPD0-937
PubChem (CID):  90659056 134820489
ChEBI:  62002
Seed:  cpd26543
MetaNetX:  MNXM3599