N-acetyl-β-D-mannosaminuronyl-(1→4)-N-acetyl-α-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol

Chemical Formula:

C₇₁H₁₁₃N₂O₁₈P₂

Molecular Weight:

1344.624 Daltons

Monoisotopic Mass:

1346.7698379518001 Daltons

SMILES:

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

InChI:

1S/C71H116N2O18P2/c1-48(2)25-15-26-49(3)27-16-28-50(4)29-17-30-51(5)31-18-32-52(6)33-19-34-53(7)35-20-36-54(8)37-21-38-55(9)39-22-40-56(10)41-23-42-57(11)43-24-44-58(12)45-46-86-92(82,83)91-93(84,85)90-71-63(73-60(14)76)65(78)67(61(47-74)87-71)88-70-62(72-59(13)75)64(77)66(79)68(89-70)69(80)81/h25,27,29,31,33,35,37,39,41,43,45,61-68,70-71,74,77-79H,15-24,26,28,30,32,34,36,38,40,42,44,46-47H2,1-14H3,(H,72,75)(H,73,76)(H,80,81)(H,82,83)(H,84,85)/p-3/b49-27-,50-29-,51-31-,52-33-,53-35-,54-37-,55-39-,56-41-,57-43-,58-45-/t61-,62+,63-,64-,65-,66+,67-,68+,70-,71-/m1/s1

InChIKey:

IGGGNUSEBUZFTR-VKNDNNCMSA-K

Synonyms

undecaprenyl-diphospho-N-acetylglucosamine-N-acetylmannosaminuronate
ManNAcA-GlcNAc-PP-lipid
C55-PP-GlcNAc-ManNAcA
ManNAcA-GlcNAc-pyrophosphorylundecaprenol
undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate pyrophosphate
ECA-lipid II

Databases

MetaCyc: C55-PP-GLCNAC-MANNACA

BiGG: unagamu

PubChem (CID): 90657902

HMDB: HMDB12306

ChEBI: 61495

Seed: cpd15581

MetaNetX: MNXM2504

KEGG: C20497