[3-[[3-[(2S,3S,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-6-[hydroxy-[hydroxy-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxy-phosphoryl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[2-hydroxy-3-[hydroxy-[3-phosphonooxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-propoxy]phosphoryl]oxy-propoxy]-6-[[2-hydroxy-3-[hydroxy-[3-phosphonooxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-propoxy]phosphoryl]oxy-propoxy]methyl]oxan-4-yl]oxy-2-hydroxy-propoxy]-hydroxy-phosphoryl]oxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-propoxy]phosphonic acid
Molecular Formula:
C107H190N2O62P8
InChI: InChI=1/C107H190N2O62P8/c1-64(2)25-15-26-65(3)27-16-28-66(4)29-17-30-67(5)31-18-32-68(6)33-19-34-69(7)35-20-36-70(8)37-21-38-71(9)39-22-40-72(10)41-23-42-73(11)43-24-44-74(12)45-46-151-178(144,145)171-179(146,147)170-104-88(108-75(13)114)93(122)100(86(50-113)167-104)169-103-89(109-76(14)115)102(150-53-79(118)56-157-177(142,143)160-62-82(59-154-174(135,136)137)163-107-99(128)96(125)92(121)85(49-112)166-107)101(149-52-78(117)55-156-176(140,141)159-61-81(58-153-173(132,133)134)162-106-98(127)95(124)91(120)84(48-111)165-106)87(168-103)63-148-51-77(116)54-155-175(138,139)158-60-80(57-152-172(129,130)131)161-105-97(126)94(123)90(119)83(47-110)164-105/h25,27,29,31,33,35,37,39,41,43,45,77-107,110-113,116-128H,15-24,26,28,30,32,34,36,38,40,42,44,46-63H2,1-14H3,(H,108,114)(H,109,115)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H2,129,130,131)(H2,132,133,134)(H2,135,136,137)/b65-27+,66-29+,67-31+,68-33+,69-35+,70-37+,71-39+,72-41+,73-43+,74-45+/t77?,78?,79?,80?,81?,82?,83-,84-,85-,86-,87-,88-,89+,90-,91-,92-,93-,94+,95+,96+,97-,98-,99-,100-,101-,102-,103+,104-,105+,106+,107+/m1/s1/f/h108-109,129-130,132-133,135-136,138,140,142,144,146H
InChIKey: InChIKey=VKWFSDWUIUXUBE-ASQQDZTJDL
SMILES: CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)OC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COCC(COP(=O)(O)OCC(COP(=O)(O)O)OC3C(C(C(C(O3)CO)O)O)O)O)OCC(COP(=O)(O)OCC(COP(=O)(O)O)OC4C(C(C(C(O4)CO)O)O)O)O)OCC(COP(=O)(O)OCC(COP(=O)(O)O)OC5C(C(C(C(O5)CO)O)O)O)O)NC(=O)C)O)NC(=O)C)C)C)C)C)C)C)C)C)C)C)C
Names:
C05858
(Phosphoglycerylglycosyl)n-(Phosphoglyceryl)3-N-acetyl-beta-D-mannosaminyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol
[3-[[3-[(2S,3S,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-6-[hydroxy-[hydroxy-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxy-phosphoryl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[2-hydroxy-3-[hydroxy-[3-phosphonooxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-propoxy]phosphoryl]oxy-propoxy]-6-[[2-hydroxy-3-[hydroxy-[3-phosphonooxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-propoxy]phosphoryl]oxy-propoxy]methyl]oxan-4-yl]oxy-2-hydroxy-propoxy]-hydroxy-phosphoryl]oxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-propoxy]phosphonic acid
Registries:
PubChem CID 11953862
PubChem ID 8151
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|