Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**
 Feedback

two disacharide linked murein units, tetrapeptide crosslinked tetrapeptide (A2pm->D-ala) (middle of chain)

PropertiesImageOccurences in reactions
MNX_IDMNXM737824Image of MNXM737824
#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 8
formulaC74H111N14O39
charge-5
mass1820.761
referencemetacycM:CPD0-2270
InChIKeyKGQATEQHQGANJW-UHFFFAOYSA-I
InChIInChI=1S/C74H116N14O39/c1-26-60(104)85-40(18-20-48(99)100)68(112)87-38(66(110)79-29(4)69(113)114)15-12-16-41(71(117)118)88-62(106)28(3)78-65(109)37(14-11-13-36(75)70(115)116)86-67(111)39(17-19-47(97)98)84-61(105)27(2)77-64(108)31(6)121-59-51(83-35(10)96)74(124-46(24-92)58(59)127-72-49(81-33(8)94)53(102)52(101)43(21-89)122-72)125-56-45(23-91)123-73(50(54(56)103)82-34(9)95)126-57-44(22-90)119-25-42(80-32(7)93)55(57)120-30(5)63(107)76-26/h25-31,36-41,43-46,49-59,72-74,89-92,101-103H,11-24,75H2,1-10H3,(H,76,107)(H,77,108)(H,78,109)(H,79,110)(H,80,93)(H,81,94)(H,82,95)(H,83,96)(H,84,105)(H,85,104)(H,86,111)(H,87,112)(H,88,106)(H,97,98)(H,99,100)(H,113,114)(H,115,116)(H,117,118)/p-5
SMILES[CH3:1][CH:26]1[C:60]([OH:104])=[N:85][CH:40]([CH2:18][CH2:20][C:48](=[O:99])[OH:100])[C:68]([OH:112])=[N:87][CH:38]([C:66](=[N:79][CH:29]([CH3:4])[C:69](=[O:113])[OH:114])[OH:110])[CH2:15][CH2:12][CH2:16][CH:41]([C:71](=[O:117])[OH:118])[N:88]=[C:62]([OH:106])[CH:28]([CH3:3])[N:78]=[C:65]([OH:109])[CH:37]([CH2:14][CH2:11][CH2:13][CH:36]([C:70](=[O:115])[OH:116])[NH2:75])[N:86]=[C:67]([OH:111])[CH:39]([CH2:17][CH2:19][C:47](=[O:97])[OH:98])[N:84]=[C:61]([OH:105])[CH:27]([CH3:2])[N:77]=[C:64]([OH:108])[CH:31]([CH3:6])[O:121][CH:59]2[CH:51]([N:83]=[C:35]([CH3:10])[OH:96])[CH:74]([O:124][CH:46]([CH2:24][OH:92])[CH:58]2[O:127][CH:72]2[CH:49]([N:81]=[C:33]([CH3:8])[OH:94])[CH:53]([OH:102])[CH:52]([OH:101])[CH:43]([CH2:21][OH:89])[O:122]2)[O:125][CH:56]2[CH:45]([CH2:23][OH:91])[O:123][CH:73]([CH:50]([N:82]=[C:34]([CH3:9])[OH:95])[CH:54]2[OH:103])[O:126][CH:57]2[CH:44]([CH2:22][OH:90])[O:119][CH:25]=[C:42]([N:80]=[C:32]([CH3:7])[OH:93])[CH:55]2[O:120][CH:30]([CH3:5])[C:63]([OH:107])=[N:76]1
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD0-2270
metacycM:CPD0-2270
seed.compound:cpd26455
seedM:cpd26455 		two disacharide linked murein units, tetrapeptide crosslinked tetrapeptide (A2pm->D-ala) (middle of chain)
bigg.metabolite:murein4px4p
biggM:murein4px4p 		Two disacharide linked murein units, tetrapeptide corsslinked tetrapeptide (A2pm->D-ala) (middle of chain)
biggM:M_murein4px4p
seedM:M_cpd26455 		secondary/obsolete/fantasy identifier