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Substance Name: Undecaprenyl diphosphate-(N-acetylglucosaminyl)(1-4)-N-acetylmuramoyl pentapeptide
RN: 31587-66-3
InChIKey: ULXTYUPMJXVUHQ-WGTHOPDKSA-N

Note

  • Murein precursor.

Molecular Formula

  • C94-H156-N8-O26-P2

Molecular Weight

  • 1876.2444
 
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Names and Synonyms

Name of Substance

  • Undecaprenyl diphosphate-(N-acetylglucosaminyl)(1-4)-N-acetylmuramoyl pentapeptide

Synonyms

  • N-Acetylglucosaminyl-N-acetylmuramyl(pentapeptide)-pyrophosphate-undecaprenol
  • Pentapeptide lipid II
  • Udagam-pentapeptide
  • Undecaprenyl-P-P-(glcnac-beta1-4)murnac-pentapeptide

Systematic Name

  • D-Alanine, N-(N-(N2-(N-(N-(N-acetyl-O-(2-(acetylamino)-2-deoxy-D-glucopyranosyl)-1-O-(hydroxy((hydroxy((3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaenyl)oxy)phosphinyl)oxy)phosphinyl)muramoyl)-L-alanyl)-D-alpha-glutamyl)-L-lysyl)-D-alanyl)-

Registry Numbers

CAS Registry Number

  • 31587-66-3

System Generated Number

  • 0031587663

Structure Descriptors

InChI

1S/C94H156N8O26P2/c1-59(2)31-21-32-60(3)33-22-34-61(4)35-23-36-62(5)37-24-38-63(6)39-25-40-64(7)41-26-42-65(8)43-27-44-66(9)45-28-46-67(10)47-29-48-68(11)49-30-50-69(12)54-56-122-129(118,119)128-130(120,121)127-94-82(100-75(18)106)86(85(79(58-104)125-94)126-93-81(99-74(17)105)84(109)83(108)78(57-103)124-93)123-73(16)89(112)96-71(14)88(111)102-77(92(116)117)52-53-80(107)101-76(51-19-20-55-95)90(113)97-70(13)87(110)98-72(15)91(114)115/h31,33,35,37,39,41,43,45,47,49,54,70-73,76-79,81-86,93-94,103-104,108-109H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-58,95H2,1-18H3,(H,96,112)(H,97,113)(H,98,110)(H,99,105)(H,100,106)(H,101,107)(H,102,111)(H,114,115)(H,116,117)(H,118,119)(H,120,121)/b60-33+,61-35+,62-37+,63-39+,64-41+,65-43+,66-45+,67-47+,68-49+,69-54+/t70-,71+,72-,73-,76+,77-,78-,79-,81-,82-,83-,84-,85-,86-,93+,94-/m1/s1

InChIKey

ULXTYUPMJXVUHQ-WGTHOPDKSA-N

Smiles

C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(=O)C)[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)O[C@H](CO)[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(=O)C)C(=O)O)C(=O)O