(N-acetylgalactosaminyl)5-N,N'-diacetylbacillosaminyl-diphospho-tri-trans,hepta-cis-undecaprenol
Chemical Formula:
C105H171N7O36P2
Molecular Weight:
2169.479 Daltons
Monoisotopic Mass:
2170.1396980053 Daltons
SMILES:
CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP(=O)([O-])OC6(OC(C)C(NC(=O)C)C(OC5(C(NC(C)=O)C(O)C(OC4(OC(CO)C(OC3(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(O)C(NC(C)=O)3))C(O)C(NC(C)=O)4))C(CO)O5))C(NC(=O)C)6))([O-])=O)C)C)C)C)C)C)C
InChI:
1S/C105H173N7O36P2/c1-58(2)31-21-32-59(3)33-22-34-60(4)35-23-36-61(5)37-24-38-62(6)39-25-40-63(7)41-26-42-64(8)43-27-44-65(9)45-28-46-66(10)47-29-48-67(11)49-30-50-68(12)51-52-135-149(131,132)148-150(133,134)147-105-88(112-76(20)124)99(82(69(13)136-105)106-70(14)118)146-104-87(111-75(19)123)94(130)98(81(57-117)141-104)145-103-86(110-74(18)122)93(129)97(80(56-116)140-103)144-102-85(109-73(17)121)92(128)96(79(55-115)139-102)143-101-84(108-72(16)120)91(127)95(78(54-114)138-101)142-100-83(107-71(15)119)90(126)89(125)77(53-113)137-100/h31,33,35,37,39,41,43,45,47,49,51,69,77-105,113-117,125-130H,21-30,32,34,36,38,40,42,44,46,48,50,52-57H2,1-20H3,(H,106,118)(H,107,119)(H,108,120)(H,109,121)(H,110,122)(H,111,123)(H,112,124)(H,131,132)(H,133,134)/p-2/b59-33+,60-35+,61-37+,62-39-,63-41-,64-43-,65-45-,66-47-,67-49-,68-51-/t69-,77-,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-/m1/s1
InChIKey:
Synonyms
- N-acetylgalactosaminyl-α1,4-N-acetylgalactosaminyl-α1,4-N-acetylgalactosaminyl-α1,4-N-acetylgalactosaminyl-α1,4-N-acetylgalactosaminyl-α1,3-N,N'-diacetylbacillosaminyl-α1-diphospho-tri-trans,hepta-cis-undecaprenol
- [GalNAc-α-(1→4)]4-GalNAc-α-(1→3)-diNAcBac-PP-tritrans,heptacis-undecaprenol
Databases
MetaCyc:
CPD-14258
PubChem (CID):
91820281
MetaNetX:
MNXM163985