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Two linked disacharide tetrapeptide murein units (uncrosslinked, middle of chain)

PropertiesImageOccurences in reactions
MNX_IDMNXM741019Image of MNXM741019
#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 12
formulaC74H114N14O40
charge-4
mass1839.784
referencebiggM:murein4p4p
InChIKeyVTZDBMVDVOTCFD-UHFFFAOYSA-J
InChIInChI=1S/C74H118N14O40/c1-26(60(104)85-40(17-19-47(97)98)66(110)87-38(15-11-13-36(75)70(116)117)64(108)79-28(3)68(112)113)77-62(106)30(5)121-55-42(81-32(7)93)25-120-44(22-90)57(55)127-73-50(83-34(9)95)54(103)56(45(23-91)124-73)126-74-51(84-35(10)96)59(58(46(24-92)125-74)128-72-49(82-33(8)94)53(102)52(101)43(21-89)123-72)122-31(6)63(107)78-27(2)61(105)86-41(18-20-48(99)100)67(111)88-39(16-12-14-37(76)71(118)119)65(109)80-29(4)69(114)115/h25-31,36-41,43-46,49-59,72-74,89-92,101-103H,11-24,75-76H2,1-10H3,(H,77,106)(H,78,107)(H,79,108)(H,80,109)(H,81,93)(H,82,94)(H,83,95)(H,84,96)(H,85,104)(H,86,105)(H,87,110)(H,88,111)(H,97,98)(H,99,100)(H,112,113)(H,114,115)(H,116,117)(H,118,119)/p-4
SMILES[CH3:1][CH:26]([C:60](=[N:85][CH:40]([CH2:17][CH2:19][C:47](=[O:97])[OH:98])[C:66](=[N:87][CH:38]([CH2:15][CH2:11][CH2:13][CH:36]([C:70](=[O:116])[OH:117])[NH2:75])[C:64](=[N:79][CH:28]([CH3:3])[C:68](=[O:112])[OH:113])[OH:108])[OH:110])[OH:104])[N:77]=[C:62]([CH:30]([CH3:5])[O:121][CH:55]1[C:42]([N:81]=[C:32]([CH3:7])[OH:93])=[CH:25][O:120][CH:44]([CH2:22][OH:90])[CH:57]1[O:127][CH:73]1[CH:50]([N:83]=[C:34]([CH3:9])[OH:95])[CH:54]([OH:103])[CH:56]([O:126][CH:74]2[CH:51]([N:84]=[C:35]([CH3:10])[OH:96])[CH:59]([O:122][CH:31]([CH3:6])[C:63](=[N:78][CH:27]([CH3:2])[C:61](=[N:86][CH:41]([CH2:18][CH2:20][C:48](=[O:99])[OH:100])[C:67](=[N:88][CH:39]([CH2:16][CH2:12][CH2:14][CH:37]([C:71](=[O:118])[OH:119])[NH2:76])[C:65](=[N:80][CH:29]([CH3:4])[C:69](=[O:114])[OH:115])[OH:109])[OH:111])[OH:105])[OH:107])[CH:58]([O:128][CH:72]3[CH:49]([N:82]=[C:33]([CH3:8])[OH:94])[CH:53]([OH:102])[CH:52]([OH:101])[CH:43]([CH2:21][OH:89])[O:123]3)[CH:46]([CH2:24][OH:92])[O:125]2)[CH:45]([CH2:23][OH:91])[O:124]1)[OH:106]
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Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:murein4p4p
biggM:murein4p4p 		Two linked disacharide tetrapeptide murein units (uncrosslinked, middle of chain)
biggM:M_murein4p4p secondary/obsolete/fantasy identifier