GalNAc-(Rib-ol)-P-Glc-AATGal-PP-undecaprenol
Chemical Formula:
C82H138N3O27P3
Molecular Weight:
1690.917 Daltons
Monoisotopic Mass:
1692.8965308684 Daltons
SMILES:
CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP([O-])(=O)OC1(C(C(C(C(O1)C)[N+])OC3(OC(COP(OCC(C(C(COC2(C(C(C(C(O2)CO)O)O)NC(C)=O))O)O)O)(=O)[O-])C(O)C(O)C(O)3))NC(C)=O))C)C)C)C)C)C)C
InChI:
1S/C82H140N3O27P3/c1-52(2)26-16-27-53(3)28-17-29-54(4)30-18-31-55(5)32-19-33-56(6)34-20-35-57(7)36-21-37-58(8)38-22-39-59(9)40-23-41-60(10)42-24-43-61(11)44-25-45-62(12)46-47-104-114(99,100)112-115(101,102)111-81-72(85-65(15)88)79(70(83)63(13)107-81)110-82-78(96)77(95)75(93)69(109-82)51-106-113(97,98)105-50-67(90)73(91)66(89)49-103-80-71(84-64(14)87)76(94)74(92)68(48-86)108-80/h26,28,30,32,34,36,38,40,42,44,46,63,66-82,86,89-96H,16-25,27,29,31,33,35,37,39,41,43,45,47-51,83H2,1-15H3,(H,84,87)(H,85,88)(H,97,98)(H,99,100)(H,101,102)/p-2/b53-28+,54-30+,55-32-,56-34-,57-36-,58-38-,59-40-,60-42-,61-44-,62-46-/t63-,66+,67-,68-,69-,70+,71-,72-,73+,74+,75-,76-,77+,78-,79+,80-,81+,82+/m1/s1
InChIKey:
Synonyms
- N-acetyl-α-D-galactosaminyl-[6-O-(phosphoribitol)]-β-D-glucosyl-(1→3)-2-acetamido-4-amino-2,4,6-trideoxy-β-D-galactosyl-diphospho-ditrans,octacis-undecaprenol
Databases
MetaCyc:
CPD-19324
PubChem (CID):
122706085
MetaNetX:
MNXM164786