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Substance Name: Undecaprenyl biphosphate-N-acetylmuramoyl-pentapeptide
RN: 83919-28-2
InChIKey: QSVYTJPCVMYPIS-LZUDKUPTSA-N

Note

  • Murein precursor.

Molecular Formula

  • C87-H143-N7-O23-P2

Molecular Weight

  • 1717.0607
 
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Names and Synonyms

Name of Substance

  • Undecaprenyl biphosphate-N-acetylmuramoyl-pentapeptide

Synonyms

  • Murnac(pentapeptide)-pyrophosphate-undecaprenol
  • Pentapeptide lipid I
  • Udamp pentapeptide
  • Undecaprenyl-P-P-mur-nac-pentapeptide

Systematic Name

  • D-Alanine, N-(N-acetyl-1-O-(1,3-dihydroxy-7,11,15,19,23,27,31,35,39,43,47-undecamethyl-2,4-dioxa-1,3-diphosphaoctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-yl)-alpha-muramoyl)-L-alanyl-D-gamma-glutamyl-mesa-alpha,epsilon-diaminopimelyl-D-alanyl-, P,P'-dioxide

Registry Numbers

CAS Registry Number

  • 83919-28-2

System Generated Number

  • 0083919282

Structure Descriptors

InChI

1S/C87H143N7O23P2/c1-56(2)29-18-30-57(3)31-19-32-58(4)33-20-34-59(5)35-21-36-60(6)37-22-38-61(7)39-23-40-62(8)41-24-42-63(9)43-25-44-64(10)45-26-46-65(11)47-27-48-66(12)53-54-113-118(109,110)117-119(111,112)116-87-77(92-71(17)96)79(78(99)75(55-95)115-87)114-70(16)82(102)89-68(14)81(101)93-74(51-52-76(97)98)84(104)94-73(50-28-49-72(88)86(107)108)83(103)90-67(13)80(100)91-69(15)85(105)106/h29,31,33,35,37,39,41,43,45,47,53,67-70,72-75,77-79,87,95,99H,18-28,30,32,34,36,38,40,42,44,46,48-52,54-55,88H2,1-17H3,(H,89,102)(H,90,103)(H,91,100)(H,92,96)(H,93,101)(H,94,104)(H,97,98)(H,105,106)(H,107,108)(H,109,110)(H,111,112)/b57-31+,58-33+,59-35+,60-37+,61-39+,62-41+,63-43+,64-45+,65-47+,66-53+/t67-,68+,69+,70-,72-,73+,74-,75-,77-,78-,79-,87-/m1/s1

InChIKey

QSVYTJPCVMYPIS-LZUDKUPTSA-N

Smiles

C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCC[C@@H](N)C(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[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]1NC(=O)C)C(=O)O