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[N-acetylglucosamine-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine]2 diphospho-undecaprenyl

PropertiesImage
MNX_IDMNXM10536 Image of MNXM10536
referenceseedM:cpd23308
formulaC135H214N16O49P2
global charge-6
mol weight2907.208
InChIKeyYCEYFMFATQTSRQ-CLOLGSKGSA-H
InChIInChI=1S/C135H220N16O49P2/c1-71(2)37-25-38-72(3)39-26-40-73(4)41-27-42-74(5)43-28-44-75(6)45-29-46-76(7)47-30-48-77(8)49-31-50-78(9)51-32-52-79(10)53-33-54-80(11)55-34-56-81(12)65-66-189-201(185,186)200-202(187,188)199-135-109(147-93(24)159)117(191-89(20)123(170)139-85(16)121(168)151-99(131(183)184)62-64-105(161)149-97(60-36-58-95(137)129(179)180)125(172)141-83(14)119(166)143-87(18)127(175)176)115(103(70-155)195-135)198-133-107(145-91(22)157)112(164)113(101(68-153)193-133)196-134-108(146-92(23)158)116(114(102(69-154)194-134)197-132-106(144-90(21)156)111(163)110(162)100(67-152)192-132)190-88(19)122(169)138-84(15)120(167)150-98(130(181)182)61-63-104(160)148-96(59-35-57-94(136)128(177)178)124(171)140-82(13)118(165)142-86(17)126(173)174/h37,39,41,43,45,47,49,51,53,55,65,82-89,94-103,106-117,132-135,152-155,162-164H,25-36,38,40,42,44,46,48,50,52,54,56-64,66-70,136-137H2,1-24H3,(H,138,169)(H,139,170)(H,140,171)(H,141,172)(H,142,165)(H,143,166)(H,144,156)(H,145,157)(H,146,158)(H,147,159)(H,148,160)(H,149,161)(H,150,167)(H,151,168)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,187,188)/p-6/b72-39+,73-41+,74-43-,75-45-,76-47-,77-49-,78-51-,79-53-,80-55-,81-65-/t82-,83-,84+,85+,86-,87-,88-,89-,94-,95-,96+,97+,98-,99-,100-,101-,102-,103-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,132+,133+,134-,135-/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](CCC[C@@H]([NH3+])C(=O)[O-])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[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]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H]([NH3+])C(=O)[O-])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])[C@H]2NC(C)=O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C135H220N16O49P2/c1-71(2)37-25-38-72(3)39-26-40-73(4)41-27-42-74(5)43-28-44-75(6)45-29-46-76(7)47-30-48-77(8)49-31-50-78(9)51-32-52-79(10)53-33-54-80(11)55-34-56-81(12)65-66-189-201(185,186)200-202(187,188)199-135-109(147-93(24)159)117(191-89(20)123(170)139-85(16)121(168)151-99(131(183)184)62-64-105(161)149-97(60-36-58-95(137)129(179)180)125(172)141-83(14)119(166)143-87(18)127(175)176)115(103(70-155)195-135)198-133-107(145-91(22)157)112(164)113(101(68-153)193-133)196-134-108(146-92(23)158)116(114(102(69-154)194-134)197-132-106(144-90(21)156)111(163)110(162)100(67-152)192-132)190-88(19)122(169)138-84(15)120(167)150-98(130(181)182)61-63-104(160)148-96(59-35-57-94(136)128(177)178)124(171)140-82(13)118(165)142-86(17)126(173)174/h37,39,41,43,45,47,49,51,53,55,65,82-89,94-103,106-117,132-135,152-155,162-164H,25-36,38,40,42,44,46,48,50,52,54,56-64,66-70,136-137H2,1-24H3,(H,138,169)(H,139,170)(H,140,171)(H,141,172)(H,142,165)(H,143,166)(H,144,156)(H,145,157)(H,146,158)(H,147,159)(H,148,160)(H,149,161)(H,150,167)(H,151,168)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,187,188)/b72-39+,73-41+,74-43-,75-45-,76-47-,77-49-,78-51-,79-53-,80-55-,81-65-/t82-,83-,84+,85+,86-,87-,88-,89-,94-,95-,96+,97+,98-,99-,100-,101-,102-,103-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,132+,133+,134-,135-/m1/s1 Image of MNXM10536
SMILES (mnx)[CH3:1][C:71]([CH3:2])=[CH:37][CH2:25][CH2:38]/[C:72]([CH3:3])=[CH:39]/[CH2:26][CH2:40]/[C:73]([CH3:4])=[CH:41]/[CH2:27][CH2:42]/[C:74]([CH3:5])=[CH:43]\[CH2:28][CH2:44]/[C:75]([CH3:6])=[CH:45]\[CH2:29][CH2:46]/[C:76]([CH3:7])=[CH:47]\[CH2:30][CH2:48]/[C:77]([CH3:8])=[CH:49]\[CH2:31][CH2:50]/[C:78]([CH3:9])=[CH:51]\[CH2:32][CH2:52]/[C:79]([CH3:10])=[CH:53]\[CH2:33][CH2:54]/[C:80]([CH3:11])=[CH:55]\[CH2:34][CH2:56]/[C:81]([CH3:12])=[CH:65]\[CH2:66][O:189][P:201]([OH:185])(=[O:186])[O:200][P:202]([OH:187])(=[O:188])[O:199][C@@H:135]1[C@H:109]([N:147]=[C:93]([CH3:24])[OH:159])[C@@H:117]([O:191][C@H:89]([CH3:20])[C:123](=[N:139][C@@H:85]([CH3:16])[C:121](=[N:151][C@H:99]([CH2:62][CH2:64][C:105](=[N:149][C@@H:97]([CH2:60][CH2:36][CH2:58][C@H:95]([C:129](=[O:179])[OH:180])[NH2:137])[C:125](=[N:141][C@H:83]([CH3:14])[C:119](=[N:143][C@H:87]([CH3:18])[C:127](=[O:175])[OH:176])[OH:166])[OH:172])[OH:161])[C:131](=[O:183])[OH:184])[OH:168])[OH:170])[C@H:115]([O:198][C@H:133]2[C@H:107]([N:145]=[C:91]([CH3:22])[OH:157])[C@@H:112]([OH:164])[C@H:113]([O:196][C@@H:134]3[C@H:108]([N:146]=[C:92]([CH3:23])[OH:158])[C@@H:116]([O:190][C@H:88]([CH3:19])[C:122](=[N:138][C@@H:84]([CH3:15])[C:120](=[N:150][C@H:98]([CH2:61][CH2:63][C:104](=[N:148][C@@H:96]([CH2:59][CH2:35][CH2:57][C@H:94]([C:128](=[O:177])[OH:178])[NH2:136])[C:124](=[N:140][C@H:82]([CH3:13])[C:118](=[N:142][C@H:86]([CH3:17])[C:126](=[O:173])[OH:174])[OH:165])[OH:171])[OH:160])[C:130](=[O:181])[OH:182])[OH:167])[OH:169])[C@H:114]([O:197][C@H:132]4[C@H:106]([N:144]=[C:90]([CH3:21])[OH:156])[C@@H:111]([OH:163])[C@H:110]([OH:162])[C@@H:100]([CH2:67][OH:152])[O:192]4)[C@@H:102]([CH2:69][OH:154])[O:194]3)[C@@H:101]([CH2:68][OH:153])[O:193]2)[C@@H:103]([CH2:70][OH:155])[O:195]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd23308
seedM:cpd23308
YCEYFMFATQTSRQ-CLOLGSKGSA-H 		[N-acetylglucosamine-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine]2 diphospho-undecaprenyl
[N-acetylglucosamine-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine]2 diphospho-undecaprenyl
a peptidoglycan dimer (meso-diaminopimelate containing)

seedM:M_cpd23308 		secondary/obsolete/fantasy identifier