α-D-mannosyl-(1→3)-α-D-mannosyl-(1→3)-α-D-mannosyl-(1→3)-N-acetyl-α-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol

α-D-mannosyl-(1→3)-α-D-mannosyl-(1→3)-α-D-mannosyl-(1→3)-<i>N</i>-acetyl-α-D-glucosaminyl-diphospho-<i>ditrans,octacis</i>-undecaprenol




Chemical Formula:
C81H133NO27P2
Molecular Weight:
1614.88 Daltons
Monoisotopic Mass:
1615.8696711554 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(O)C(O1)CO)OC4(OC(CO)C(O)C(OC3(OC(CO)C(O)C(OC2(OC(CO)C(O)C(O)C(O)2))C(O)3))C(O)4))NC(C)=O))C)C)C)C)C)C)C
InChI:
1S/C81H135NO27P2/c1-50(2)24-14-25-51(3)26-15-27-52(4)28-16-29-53(5)30-17-31-54(6)32-18-33-55(7)34-19-35-56(8)36-20-37-57(9)38-21-39-58(10)40-22-41-59(11)42-23-43-60(12)44-45-100-110(96,97)109-111(98,99)108-78-66(82-61(13)87)75(68(89)63(47-84)101-78)105-80-73(94)77(70(91)64(48-85)103-80)107-81-74(95)76(69(90)65(49-86)104-81)106-79-72(93)71(92)67(88)62(46-83)102-79/h24,26,28,30,32,34,36,38,40,42,44,62-81,83-86,88-95H,14-23,25,27,29,31,33,35,37,39,41,43,45-49H2,1-13H3,(H,82,87)(H,96,97)(H,98,99)/p-2/b51-26+,52-28+,53-30-,54-32-,55-34-,56-36-,57-38-,58-40-,59-42-,60-44-/t62-,63-,64-,65-,66-,67-,68-,69-,70-,71+,72+,73+,74+,75-,76+,77+,78-,79-,80-,81-/m1/s1
InChIKey:
JVFOXZWIJXUDDC-AFORAGQFSA-L

Synonyms
  • Man3-GlcNAc-PP-undecaprenol

Databases
MetaCyc:  CPD-20069
ChEBI:  137169
PubChem (CID):  129011078