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UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-2,6-diaminopimeloyl-D-alanyl-D-lactate

PropertiesImage
MNX_IDMNXM162000 Image of MNXM162000
referencechebi:176939
formulaC41H64N8O29P2
global charge0
mol weight1194.938
InChIKeyVSLSOBWWVNOTRU-VWUNIXDHSA-N
InChIInChI=1S/C41H64N8O29P2/c1-15(32(57)47-22(38(64)65)9-10-25(52)46-21(8-6-7-20(42)37(62)63)34(59)44-16(2)39(66)74-18(4)36(60)61)43-33(58)17(3)73-31-27(45-19(5)51)40(76-23(13-50)29(31)55)77-80(70,71)78-79(68,69)72-14-24-28(54)30(56)35(75-24)49-12-11-26(53)48-41(49)67/h11-12,15-18,20-24,27-31,35,40,50,54-56H,6-10,13-14,42H2,1-5H3,(H,43,58)(H,44,59)(H,45,51)(H,46,52)(H,47,57)(H,60,61)(H,62,63)(H,64,65)(H,68,69)(H,70,71)(H,48,53,67)/t15-,16+,17+,18+,20-,21-,22+,23+,24+,27+,28+,29+,30+,31+,35+,40+/m0/s1
SMILESCC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C41H64N8O29P2/c1-15(32(57)47-22(38(64)65)9-10-25(52)46-21(8-6-7-20(42)37(62)63)34(59)44-16(2)39(66)74-18(4)36(60)61)43-33(58)17(3)73-31-27(45-19(5)51)40(76-23(13-50)29(31)55)77-80(70,71)78-79(68,69)72-14-24-28(54)30(56)35(75-24)49-12-11-26(53)48-41(49)67/h11-12,15-18,20-24,27-31,35,40,50,54-56H,6-10,13-14,42H2,1-5H3,(H,43,58)(H,44,59)(H,45,51)(H,46,52)(H,47,57)(H,60,61)(H,62,63)(H,64,65)(H,68,69)(H,70,71)(H,48,53,67)/t15-,16+,17+,18+,20-,21-,22+,23+,24+,27+,28+,29+,30+,31+,35+,40+/m0/s1 Image of MNXM162000
SMILES (mnx)[CH3:1][C@@H:15]([C:32](=[N:47][C@H:22]([CH2:9][CH2:10][C:25](=[N:46][C@@H:21]([CH2:8][CH2:6][CH2:7][C@@H:20]([C:37](=[O:62])[OH:63])[NH2:42])[C:34](=[N:44][C@H:16]([CH3:2])[C:39](=[O:66])[O:74][C@H:18]([CH3:4])[C:36](=[O:60])[OH:61])[OH:59])[OH:52])[C:38](=[O:64])[OH:65])[OH:57])[N:43]=[C:33]([C@@H:17]([CH3:3])[O:73][C@@H:31]1[C@@H:27]([N:45]=[C:19]([CH3:5])[OH:51])[C@@H:40]([O:77][P:80]([OH:70])(=[O:71])[O:78][P:79]([OH:68])(=[O:69])[O:72][CH2:14][C@@H:24]2[C@@H:28]([OH:54])[C@@H:30]([OH:56])[C@H:35]([N:49]3[CH:12]=[CH:11][C:26]([OH:53])=[N:48][C:41]3=[O:67])[O:75]2)[O:76][C@H:23]([CH2:13][OH:50])[C@H:29]1[OH:55])[OH:58]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176939
chebi:176939
VSLSOBWWVNOTRU-VWUNIXDHSA-N 		UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-2,6-diaminopimeloyl-D-alanyl-D-lactate
(2S,6S)-6-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-2-amino-7-[[(2R)-1-[(1R)-1-carboxyethoxy]-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid

kegg.compound:C20880
keggC:C20880
VSLSOBWWVNOTRU-VWUNIXDHSA-N 		UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-2,6-diaminopimeloyl-D-alanyl-D-lactate
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-2,6-diaminopimeloyl-D-alanyl-D-lactate

keggC:M_C20880 		secondary/obsolete/fantasy identifier