N-acetyl-D-galactosaminyl-α-(1→3)-N,N'-diacetyl-α-D-bacillosaminyl-diphospho-tri-trans,hepta-cis-undecaprenol

<i>N</i>-acetyl-D-galactosaminyl-α-(1→3)-<i>N,N'</i>-diacetyl-α-D-bacillosaminyl-diphospho-<i>tri-trans,hepta-cis</i>-undecaprenol




Chemical Formula:
C73H119N3O16P2
Molecular Weight:
1356.701 Daltons
Monoisotopic Mass:
1357.8222078733 Daltons
SMILES:
CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP(=O)([O-])OC2(OC(C)C(NC(=O)C)C(OC1(C(NC(C)=O)C(O)C(O)C(CO)O1))C(NC(=O)C)2))([O-])=O)C)C)C)C)C)C)C
InChI:
1S/C73H121N3O16P2/c1-50(2)27-17-28-51(3)29-18-30-52(4)31-19-32-53(5)33-20-34-54(6)35-21-36-55(7)37-22-38-56(8)39-23-40-57(9)41-24-42-58(10)43-25-44-59(11)45-26-46-60(12)47-48-87-93(83,84)92-94(85,86)91-73-68(76-64(16)80)71(66(61(13)88-73)74-62(14)78)90-72-67(75-63(15)79)70(82)69(81)65(49-77)89-72/h27,29,31,33,35,37,39,41,43,45,47,61,65-73,77,81-82H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,74,78)(H,75,79)(H,76,80)(H,83,84)(H,85,86)/p-2/b51-29+,52-31+,53-33+,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47-/t61-,65-,66-,67-,68-,69+,70-,71+,72-,73-/m1/s1
InChIKey:
XKBQJSBUHZIVDD-SKYXNNIUSA-L

Synonyms
  • N-acetylgalactosaminyl-α1,3-N,N'-diacetylbacillosaminyl-α1-diphospho-tri-trans,hepta-cis-undecaprenol

Databases
MetaCyc:  CPD-14256
ChEBI:  68652
PubChem (CID):  70678970
MetaNetX:  MNXM97072
KEGG:  C20427