(N-acetylgalactosaminyl)2-(glucosyl)-(N-acetylgalactosaminyl)3- N,N'-diacetylbacillosaminyl-diphospho-tri-trans,hepta-cis-undecaprenol
Chemical Formula:
C111H181N7O41P2
Molecular Weight:
2331.621 Daltons
Monoisotopic Mass:
2332.1925214368002 Daltons
SMILES:
CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP(=O)([O-])OC7(OC(C)C(NC(=O)C)C(OC6(C(NC(C)=O)C(O)C(OC5(OC(CO)C(OC4(OC(CO)C(OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(C)=O)1))C(O)C(NC(C)=O)2))C(OC3(OC(CO)C(O)C(O)C(O)3))C(NC(C)=O)4))C(O)C(NC(C)=O)5))C(CO)O6))C(NC(=O)C)7))([O-])=O)C)C)C)C)C)C)C
InChI:
1S/C111H183N7O41P2/c1-59(2)31-21-32-60(3)33-22-34-61(4)35-23-36-62(5)37-24-38-63(6)39-25-40-64(7)41-26-42-65(8)43-27-44-66(9)45-28-46-67(10)47-29-48-68(11)49-30-50-69(12)51-52-144-160(140,141)159-161(142,143)158-110-89(117-76(19)130)103(84(70(13)145-110)112-71(14)125)156-108-88(116-75(18)129)96(137)100(81(56-122)150-108)153-106-86(114-73(16)127)94(135)101(82(57-123)148-106)154-109-90(118-77(20)131)104(157-111-98(139)97(138)92(133)79(54-120)147-111)102(83(58-124)151-109)155-107-87(115-74(17)128)95(136)99(80(55-121)149-107)152-105-85(113-72(15)126)93(134)91(132)78(53-119)146-105/h31,33,35,37,39,41,43,45,47,49,51,70,78-111,119-124,132-139H,21-30,32,34,36,38,40,42,44,46,48,50,52-58H2,1-20H3,(H,112,125)(H,113,126)(H,114,127)(H,115,128)(H,116,129)(H,117,130)(H,118,131)(H,140,141)(H,142,143)/p-2/b60-33+,61-35+,62-37+,63-39-,64-41-,65-43-,66-45-,67-47-,68-49-,69-51-/t70-,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-,108-,109+,110-,111+/m1/s1
InChIKey:
Synonyms
- N-acetylgalactosaminyl-α1,4-N-acetylgalactosaminyl-α1,4-[glucosyl-β1,3]-N-acetylgalactosaminyl-α1,4-N-acetylgalactosaminyl-α1,4-N-acetylgalactosaminyl-α1,3-N,N'-diacetylbacillosaminyl-α1-diphospho-tri-trans,hepta-cis-undecaprenol
- GalNAc-α1,4-GalNAc-α1,4-(Glcβ1,3)-GalNAc-α1,4-GalNAc-α1,4-GalNAc-α1,3-Bac-α1-PP-Und
Databases
MetaCyc:
CPD-14259
PubChem (CID):
91820033
MetaNetX:
MNXM163984