α-L-fucosyl-(1→2)-β-D-galactosyl-(1→3)-N-acetyl-α-D-galactosaminyl-(1→3)-N-acetyl-α-D-galactosaminyldiphospho-ditrans,octacis-undecaprenol

α-L-fucosyl-(1→2)-β-D-galactosyl-(1→3)-<i>N</i>-acetyl-α-D-galactosaminyl-(1→3)-<i>N</i>-acetyl-α-D-galactosaminyldiphospho-<i>ditrans,octacis</i>-undecaprenol




Chemical Formula:
C83H136N2O26P2
Molecular Weight:
1639.933 Daltons
Monoisotopic Mass:
1640.9013056348 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)CO)O)OC4(OC(CO)C(O)C(OC3(OC(CO)C(O)C(O)C(OC2(OC(C)C(O)C(O)C(O)2))3))C(NC(=O)C)4))NC(C)=O))C)C)C)C)C)C)C
InChI:
1S/C83H138N2O26P2/c1-51(2)26-16-27-52(3)28-17-29-53(4)30-18-31-54(5)32-19-33-55(6)34-20-35-56(7)36-21-37-57(8)38-22-39-58(9)40-23-41-59(10)42-24-43-60(11)44-25-45-61(12)46-47-102-112(98,99)111-113(100,101)110-81-69(85-64(15)90)78(73(94)67(50-88)105-81)107-80-68(84-63(14)89)77(72(93)66(49-87)104-80)108-83-79(75(96)71(92)65(48-86)106-83)109-82-76(97)74(95)70(91)62(13)103-82/h26,28,30,32,34,36,38,40,42,44,46,62,65-83,86-88,91-97H,16-25,27,29,31,33,35,37,39,41,43,45,47-50H2,1-15H3,(H,84,89)(H,85,90)(H,98,99)(H,100,101)/p-2/b52-28+,53-30+,54-32-,55-34-,56-36-,57-38-,58-40-,59-42-,60-44-,61-46-/t62-,65+,66+,67+,68+,69+,70+,71-,72-,73-,74+,75-,76-,77+,78+,79+,80+,81+,82-,83-/m0/s1
InChIKey:
JNHZJPLQKQTBFJ-WDJWUHPUSA-L

Synonyms
  • α-L-Fuc-(1→2)-β-D-Gal-(1→3)-α-D-GalNAc-(1→3)-α-D-GalNAc-diphospho-ditrans,octacis-undecaprenol

Databases
MetaCyc:  CPD-15433
PubChem (CID):  71581062
ChEBI:  73991
MetaNetX:  MNXM145755
KEGG:  C20625