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beta-D-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-D-isoglutaminyl-L-Lys-(N(6)-Gly)-D-Ala-D-Ala)-di-trans,octa-cis-undecaprenyl diphosphate

PropertiesImage
MNX_IDMNXM1370450 Image of MNXM1370450
referencechebi:62234
formulaC96H158N10O26P2
global charge-2
mol weight1930.312
InChIKeyVCKYTGCICDTHCU-OQUIGZRYSA-L
InChIInChI=1S/C96H160N10O26P2/c1-60(2)31-21-32-61(3)33-22-34-62(4)35-23-36-63(5)37-24-38-64(6)39-25-40-65(7)41-26-42-66(8)43-27-44-67(9)45-28-46-68(10)47-29-48-69(11)49-30-50-70(12)54-56-126-133(122,123)132-134(124,125)131-96-84(104-76(18)110)88(87(80(59-108)129-96)130-95-83(103-75(17)109)86(114)85(113)79(58-107)128-95)127-74(16)92(118)100-72(14)91(117)106-77(89(98)115)52-53-81(111)105-78(51-19-20-55-99-82(112)57-97)93(119)101-71(13)90(116)102-73(15)94(120)121/h31,33,35,37,39,41,43,45,47,49,54,71-74,77-80,83-88,95-96,107-108,113-114H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-59,97H2,1-18H3,(H2,98,115)(H,99,112)(H,100,118)(H,101,119)(H,102,116)(H,103,109)(H,104,110)(H,105,111)(H,106,117)(H,120,121)(H,122,123)(H,124,125)/p-2/b61-33+,62-35+,63-37-,64-39-,65-41-,66-43-,67-45-,68-47-,69-49-,70-54-/t71-,72+,73-,74-,77-,78+,79-,80-,83-,84-,85-,86-,87-,88-,95+,96-/m1/s1
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)C[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(N)=O)[C@@H](NC(C)=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)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C96H160N10O26P2/c1-60(2)31-21-32-61(3)33-22-34-62(4)35-23-36-63(5)37-24-38-64(6)39-25-40-65(7)41-26-42-66(8)43-27-44-67(9)45-28-46-68(10)47-29-48-69(11)49-30-50-70(12)54-56-126-133(122,123)132-134(124,125)131-96-84(104-76(18)110)88(87(80(59-108)129-96)130-95-83(103-75(17)109)86(114)85(113)79(58-107)128-95)127-74(16)92(118)100-72(14)91(117)106-77(89(98)115)52-53-81(111)105-78(51-19-20-55-99-82(112)57-97)93(119)101-71(13)90(116)102-73(15)94(120)121/h31,33,35,37,39,41,43,45,47,49,54,71-74,77-80,83-88,95-96,107-108,113-114H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-59,97H2,1-18H3,(H2,98,115)(H,99,112)(H,100,118)(H,101,119)(H,102,116)(H,103,109)(H,104,110)(H,105,111)(H,106,117)(H,120,121)(H,122,123)(H,124,125)/b61-33+,62-35+,63-37-,64-39-,65-41-,66-43-,67-45-,68-47-,69-49-,70-54-/t71-,72+,73-,74-,77-,78+,79-,80-,83-,84-,85-,86-,87-,88-,95+,96-/m1/s1 Image of MNXM1370450
SMILES (mnx)[CH3:1][C:60]([CH3:2])=[CH:31][CH2:21][CH2:32]/[C:61]([CH3:3])=[CH:33]/[CH2:22][CH2:34]/[C:62]([CH3:4])=[CH:35]/[CH2:23][CH2:36]/[C:63]([CH3:5])=[CH:37]\[CH2:24][CH2:38]/[C:64]([CH3:6])=[CH:39]\[CH2:25][CH2:40]/[C:65]([CH3:7])=[CH:41]\[CH2:26][CH2:42]/[C:66]([CH3:8])=[CH:43]\[CH2:27][CH2:44]/[C:67]([CH3:9])=[CH:45]\[CH2:28][CH2:46]/[C:68]([CH3:10])=[CH:47]\[CH2:29][CH2:48]/[C:69]([CH3:11])=[CH:49]\[CH2:30][CH2:50]/[C:70]([CH3:12])=[CH:54]\[CH2:56][O:126][P:133]([OH:122])(=[O:123])[O:132][P:134]([OH:124])(=[O:125])[O:131][C@@H:96]1[C@H:84]([N:104]=[C:76]([CH3:18])[OH:110])[C@@H:88]([O:127][C@H:74]([CH3:16])[C:92](=[N:100][C@@H:72]([CH3:14])[C:91](=[N:106][C@H:77]([CH2:52][CH2:53][C:81](=[N:105][C@@H:78]([CH2:51][CH2:19][CH2:20][CH2:55][N:99]=[C:82]([CH2:57][NH2:97])[OH:112])[C:93](=[N:101][C@H:71]([CH3:13])[C:90](=[N:102][C@H:73]([CH3:15])[C:94](=[O:120])[OH:121])[OH:116])[OH:119])[OH:111])[C:89](=[NH:98])[OH:115])[OH:117])[OH:118])[C@H:87]([O:130][C@H:95]2[C@H:83]([N:103]=[C:75]([CH3:17])[OH:109])[C@@H:86]([OH:114])[C@H:85]([OH:113])[C@@H:79]([CH2:58][OH:107])[O:128]2)[C@@H:80]([CH2:59][OH:108])[O:129]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62234
chebi:62234
VCKYTGCICDTHCU-OQUIGZRYSA-L 		beta-D-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-D-isoglutaminyl-L-Lys-(N(6)-Gly)-D-Ala-D-Ala)-di-trans,octa-cis-undecaprenyl diphosphate
undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutaminyl-(glycyl)-L-lysyl-D-alanyl-D-alanine(2-)

seed.compound:cpd23310
seedM:cpd23310
VCKYTGCICDTHCU-OQUIGZRYSA-L 		GlcNAc-(1->4)-MurNAc(oyl-L-Ala-gamma-D-iGln-L-Lys-(Gly)-D-Ala-D-Ala)-diphosphoundecaprenol
N-acetyl-muramoyl-(pentapeptide)-(glycyl)-N-acetylglucosamine-diphosphoundecaprenol
N-acetylmuramoyl-L-alanyl-D-isoglutaminyl-L-lysyl-(N6-glycyl)-D-alanyl-D-alanine-diphospho-undecaprenyl-N-acetylglucosamine
ditrans,octacis-undecaprenyl-diphospho-(GlcNAc)-MurNAc-L-Ala-D-isoglutaminyl-L-Lys-(N6-Gly)-D-Ala-D-Ala
ditrans,octacis-undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-gamma-D-isoglutaminyl-L-lysyl-(N6-glycyl)-D-alanyl-D-alanine
undecaprenyl-pyrophosphoryl-MurNAc-(pentapeptide)-(glycyl)-N-acetylglucosamine

seed.compound:cpd17666
seedM:cpd17666
VCKYTGCICDTHCU-OQUIGZRYSA-L 		Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala
Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine

metacyc.compound:CPD-12242
metacycM:CPD-12242
VCKYTGCICDTHCU-OQUIGZRYSA-L 		Und-PP-[beta-D-GlcNAc-(1->4)]-MurNAc-L-Ala-gamma-D-iGln-(N6-Gly)-L-Lys-D-Ala-D-Ala
beta-D-GlcNAc-(1->4)-MurNAc(oyl-L-Ala-gamma-D-iGln-(N6-Gly)-L-Lys-D-Ala-D-Ala)-PP-Und
ditrans,octacis-undecaprenyl-diphospho-(GlcNAc)-MurNAc-L-Ala-D-isoglutaminyl-L-Lys-(N6-Gly)-D-Ala-D-Ala
ditrans,octacis-undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-gamma-D-isoglutaminyl-(N6-glycyl)-L-lysyl-D-alanyl-D-alanine
undecaprenyl-pyrophosphoryl-MurNAc-(pentapeptide)-(glycyl)-N-acetylglucosamine

CHEBI:62232
chebi:62232
VCKYTGCICDTHCU-OQUIGZRYSA-N 		undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutaminyl-(glycyl)-L-lysyl-D-alanyl-D-alanine
Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala
Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine

seedM:M_cpd17666
seedM:M_cpd23310 		secondary/obsolete/fantasy identifier