glucosyl-(heptosyl)2-Kdo2-lipid A

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




Chemical Formula:
C130H230N2O56P2
Molecular Weight:
2779.174 Daltons
Monoisotopic Mass:
2783.5155974436 Daltons
SMILES:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC6(C(C(OC(COC5(C(=O)[O-])(O[CH](C(O)CO)C(OC3(O[CH](C(O)CO)C(O)C(OC2(O[CH](C(CO)O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)2))C(O)3))C(OC4(O[CH](C(CO)O)C(O)C(O)C4)C(=O)[O-])C5))C6OP([O-])([O-])=O)OCC7(C(O)C(OC(=O)CC(O)CCCCCCCCCCC)C(NC(=O)CC(O)CCCCCCCCCCC)C(OP([O-])([O-])=O)O7))NC(CC(OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
InChI:
1S/C130H236N2O56P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-98(148)173-85(66-60-54-48-42-35-29-23-17-11-5)72-100(150)178-119-102(132-96(146)71-84(65-59-53-47-41-34-28-22-16-10-4)172-97(147)67-61-55-49-43-36-30-24-18-12-6)122(170-80-93-105(153)118(177-99(149)70-83(139)64-58-52-46-40-33-27-21-15-9-3)101(123(175-93)188-190(167,168)169)131-95(145)69-82(138)63-57-51-45-39-32-26-20-14-8-2)176-94(117(119)187-189(164,165)166)81-171-129(127(160)161)74-91(184-130(128(162)163)73-86(140)103(151)114(185-130)89(143)77-135)116(115(186-129)90(144)78-136)181-125-110(158)121(109(157)112(179-125)87(141)75-133)183-126-111(159)120(108(156)113(180-126)88(142)76-134)182-124-107(155)106(154)104(152)92(79-137)174-124/h82-94,101-126,133-144,151-159H,7-81H2,1-6H3,(H,131,145)(H,132,146)(H,160,161)(H,162,163)(H2,164,165,166)(H2,167,168,169)/p-6/t82-,83-,84-,85-,86-,87+,88-,89-,90-,91-,92-,93-,94-,101-,102-,103-,104-,105-,106+,107-,108-,109-,110+,111+,112-,113-,114-,115-,116-,117-,118-,119-,120+,121+,122-,123-,124-,125-,126+,129-,130-/m1/s1
InChIKey:
UMRPQNDYTAXFNB-YQSJXLRCSA-H

Synonyms
  • Rc LPS

Databases
MetaCyc:  CPD0-932
PubChem (CID):  90659037 134820479
ChEBI:  61997
Seed:  cpd26538
MetaNetX:  MNXM3607