β-D-galactosyl-(1→4)-α-D-galactosyl-(1→3)-N,N'-diacetyl-α-D-bacillosaminyl-diphospho-di-trans,octa-cis-undecaprenol

Chemical Formula:

C₇₇H₁₂₆N₂O₂₁P₂

Molecular Weight:

1477.791 Daltons

Monoisotopic Mass:

1478.8484822033001 Daltons

SMILES:

CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP(=O)([O-])OC3(OC(C)C(NC(=O)C)C(OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)2))C(NC(=O)C)3))([O-])=O)C)C)C)C)C)C)C

InChI:

1S/C77H128N2O21P2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)46-47-93-101(89,90)100-102(91,92)99-75-67(79-63(15)83)74(66(61(13)94-75)78-62(14)82)98-77-72(88)70(86)73(65(49-81)96-77)97-76-71(87)69(85)68(84)64(48-80)95-76/h26,28,30,32,34,36,38,40,42,44,46,61,64-77,80-81,84-88H,16-25,27,29,31,33,35,37,39,41,43,45,47-49H2,1-15H3,(H,78,82)(H,79,83)(H,89,90)(H,91,92)/p-2/b51-28+,52-30+,53-32+,54-34-,55-36-,56-38-,57-40-,58-42-,59-44-,60-46-/t61-,64-,65-,66-,67-,68+,69+,70-,71-,72-,73+,74+,75-,76-,77-/m1/s1

InChIKey:

YLBMEMMUCQFJPH-QOXIPRKZSA-L

Synonyms

(galactosyl)₂-N,N'-diacetylbacillosaminyl-α1-diphospho-di-trans,octa-cis-undecaprenol

Databases

MetaCyc: CPD-14296

PubChem (CID): 91820028

Seed: cpd24278

MetaNetX: MNXM97367