Search MNXref
 Feedback

UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioyl-D-alanine

MNXM88444 is deprecated and here replaced by MNXM1372511
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372511 Image of MNXM1372511
referencechebi:64420
formulaC38H56N8O27P2
global charge-4
mol weight1118.843
InChIKeyGTTWNLXGSDZECO-HOZNVNQUSA-J
InChIInChI=1S/C38H60N8O27P2/c1-14(30(54)44-20(36(61)62)8-9-23(49)43-19(7-5-6-18(39)35(59)60)32(56)41-15(2)34(57)58)40-31(55)16(3)69-29-25(42-17(4)48)37(71-21(12-47)27(29)52)72-75(66,67)73-74(64,65)68-13-22-26(51)28(53)33(70-22)46-11-10-24(50)45-38(46)63/h10-11,14-16,18-22,25-29,33,37,47,51-53H,5-9,12-13,39H2,1-4H3,(H,40,55)(H,41,56)(H,42,48)(H,43,49)(H,44,54)(H,57,58)(H,59,60)(H,61,62)(H,64,65)(H,66,67)(H,45,50,63)/p-4/t14-,15+,16+,18+,19-,20+,21+,22+,25+,26+,27+,28+,29+,33+,37+/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]([NH3+])C(=O)[O-])C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C38H60N8O27P2/c1-14(30(54)44-20(36(61)62)8-9-23(49)43-19(7-5-6-18(39)35(59)60)32(56)41-15(2)34(57)58)40-31(55)16(3)69-29-25(42-17(4)48)37(71-21(12-47)27(29)52)72-75(66,67)73-74(64,65)68-13-22-26(51)28(53)33(70-22)46-11-10-24(50)45-38(46)63/h10-11,14-16,18-22,25-29,33,37,47,51-53H,5-9,12-13,39H2,1-4H3,(H,40,55)(H,41,56)(H,42,48)(H,43,49)(H,44,54)(H,57,58)(H,59,60)(H,61,62)(H,64,65)(H,66,67)(H,45,50,63)/t14-,15+,16+,18+,19-,20+,21+,22+,25+,26+,27+,28+,29+,33+,37+/m0/s1 Image of MNXM1372511
SMILES (mnx)[CH3:1][C@@H:14]([C:30](=[N:44][C@H:20]([CH2:8][CH2:9][C:23](=[N:43][C@@H:19]([CH2:7][CH2:5][CH2:6][C@H:18]([C:35](=[O:59])[OH:60])[NH2:39])[C:32](=[N:41][C@H:15]([CH3:2])[C:34](=[O:57])[OH:58])[OH:56])[OH:49])[C:36](=[O:61])[OH:62])[OH:54])[N:40]=[C:31]([C@@H:16]([CH3:3])[O:69][C@@H:29]1[C@@H:25]([N:42]=[C:17]([CH3:4])[OH:48])[C@@H:37]([O:72][P:75]([OH:66])(=[O:67])[O:73][P:74]([OH:64])(=[O:65])[O:68][CH2:13][C@@H:22]2[C@@H:26]([OH:51])[C@@H:28]([OH:53])[C@H:33]([N:46]3[CH:11]=[CH:10][C:24]([OH:50])=[N:45][C:38]3=[O:63])[O:70]2)[O:71][C@H:21]([CH2:12][OH:47])[C@H:27]1[OH:52])[OH:55]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64420
chebi:64420
GTTWNLXGSDZECO-HOZNVNQUSA-J 		UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioyl-D-alanine
(2R,5S,10R,13S,16R)-16-{[(2R,3R,4R,5S,6R)-3-acetamido-2-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}phosphinato)oxy]phosphinato}oxy)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-5-[(4R)-4-azaniumyl-4-carboxylatobutyl]-10-carboxylato-2,13-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazaheptadecan-1-oate
UDP-MurNAc-tetrapeptide(4-)
UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate-D-alanine(4-)

metacyc.compound:UDP-MURNAC-TETRAPEPTIDE
metacycM:UDP-MURNAC-TETRAPEPTIDE
GTTWNLXGSDZECO-HOZNVNQUSA-J 		UDP-MurNAc-L-Ala-gamma-D-Glu-meso-DAP-D-Ala
UDP-MurNAc-tetrapeptide
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioate-D-alanine
uridine 5'-pyrophosphoryl N-acetylmuramoyl-tetrapeptide

seed.compound:cpd02917
seedM:cpd02917
GTTWNLXGSDZECO-HOZNVNQUSA-J 		UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala
UDP-MurNAc-tetrapeptide
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-Glu-6-carboxy-L-lys-D-ala
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysl-D-alaniine
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D- alanine
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate-D-alanine
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanine
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimelyl-D-alanine
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioate-D-alanine
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanine
uridine 5'-pyrophosphoryl N-acetylmuramyl-tetrapeptide

kegg.compound:C04804
keggC:C04804
GTTWNLXGSDZECO-HOZNVNQUSA-N 		UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanine
UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine

keggC:M_C04804
seedM:M_cpd02917 		secondary/obsolete/fantasy identifier