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beta-D-ManNAcA-(1->4)-alpha-D-GlcNAc-PP-Und

Properties

Image

Occurences in reactions

MNX_ID

MNXM733023

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	2

formula

C₇₁H₁₁₃N₂O₁₈P₂

charge

-3

mass

1343.74801

reference

metacycM:C55-PP-GLCNAC-MANNACA

InChIKey

IGGGNUSEBUZFTR-VKNDNNCMSA-K

InChI

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

SMILES

CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CCC=C(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](C(=O)[O-])[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:C55-PP-GLCNAC-MANNACA metacycM:C55-PP-GLCNAC-MANNACA	beta-D-ManNAcA-(1->4)-alpha-D-GlcNAc-PP-Und C55-PP-GlcNAc-ManNAcA ECA-lipid II ManNAcA-GlcNAc-PP-lipid N-acetyl-beta-D-mannosaminuronyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol beta-D-ManNAcA-(1->4)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol beta-D-ManNAcA-(1->4)-alpha-D-GlcNAc-pyrophosphorylundecaprenol undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate pyrophosphate undecaprenyl-diphospho-N-acetylglucosamine-N-acetylmannosaminuronate
bigg.metabolite:unagamu biggM:unagamu	Undecaprenyl-diphospho-N-acetylglucosamine-N-acetylmannosaminuronate
seed.compound:cpd15581 seedM:cpd15581	Undecaprenyl-diphospho-N-acetylglucosamine-N-acetylmannosaminuronate C55-PP-GlcNAc-ManNAcA ManNAcA-GlcNAc-PP-lipid ManNAcA-GlcNAc-pyrophosphorylundecaprenol N-acetyl-beta-D-mannosaminouronyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol N-acetyl-beta-D-mannosaminuronyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol lipid II unagamu undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate pyrophosphate undecaprenyl-diphospho-N-acetylglucosamine-N-acetylmannosaminuronate
biggM:M_unagamu seedM:M_cpd15581	secondary/obsolete/fantasy identifier