6-(L-threonyl)-2-acetamido-2-deoxy-β-uronatemannosyl-(1→4)-2,3-diacetamido-2,3-dideoxy-β-D-uronateglucosyl-(1→3)-N-acetyl-α-D-glucosaminyl-(C55 ω-saturated dolichyl phosphate)
Chemical Formula:
C85H137N5O23P
Molecular Weight:
1628.011 Daltons
Monoisotopic Mass:
1629.9676723383 Daltons
SMILES:
CC(C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OC1(C(C(C(C(O1)CO)O)OC3(OC(C(=O)[O-])C(OC2(OC(C(NC(C(O)C)C(=O)[O-])=O)C(O)C(O)C(NC(C)=O)2))C(NC(=O)C)C(NC(=O)C)3))NC(C)=O))[O-])C
InChI:
1S/C85H140N5O23P/c1-51(2)28-18-29-52(3)30-19-31-53(4)32-20-33-54(5)34-21-35-55(6)36-22-37-56(7)38-23-39-57(8)40-24-41-58(9)42-25-43-59(10)44-26-45-60(11)46-27-47-61(12)48-49-107-114(105,106)113-85-72(89-66(17)96)76(73(97)67(50-91)108-85)109-83-70(87-64(15)94)69(86-63(14)93)77(79(112-83)82(103)104)110-84-71(88-65(16)95)74(98)75(99)78(111-84)80(100)90-68(62(13)92)81(101)102/h30,32,34,36,38,40,42,44,46,51,61-62,67-79,83-85,91-92,97-99H,18-29,31,33,35,37,39,41,43,45,47-50H2,1-17H3,(H,86,93)(H,87,94)(H,88,95)(H,89,96)(H,90,100)(H,101,102)(H,103,104)(H,105,106)/p-3/b52-30+,53-32+,54-34-,55-36-,56-38-,57-40-,58-42-,59-44-,60-46-/t61?,62-,67-,68+,69-,70-,71-,72-,73-,74-,75+,76-,77+,78+,79+,83-,84-,85-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-17862
PubChem (CID):
91819770
MetaNetX:
MNXM147858