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UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)

PropertiesImage
MNX_IDMNXM162003 Image of MNXM162003
referencechebi:176932
formulaC40H65N9O27P2
global charge0
mol weight1165.944
InChIKeyZDMTVXSZFHERFC-WMCZGLITSA-N
InChIInChI=1S/C40H65N9O27P2/c1-16(32(58)46-21(37(62)63)8-9-25(53)45-20(7-5-6-11-41)35(61)43-17(2)33(59)47-22(13-50)38(64)65)42-34(60)18(3)72-31-27(44-19(4)52)39(74-23(14-51)29(31)56)75-78(69,70)76-77(67,68)71-15-24-28(55)30(57)36(73-24)49-12-10-26(54)48-40(49)66/h10,12,16-18,20-24,27-31,36,39,50-51,55-57H,5-9,11,13-15,41H2,1-4H3,(H,42,60)(H,43,61)(H,44,52)(H,45,53)(H,46,58)(H,47,59)(H,62,63)(H,64,65)(H,67,68)(H,69,70)(H,48,54,66)/t16-,17+,18+,20-,21+,22+,23+,24+,27+,28+,29+,30+,31+,36+,39+/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](CCCCN)C(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C40H65N9O27P2/c1-16(32(58)46-21(37(62)63)8-9-25(53)45-20(7-5-6-11-41)35(61)43-17(2)33(59)47-22(13-50)38(64)65)42-34(60)18(3)72-31-27(44-19(4)52)39(74-23(14-51)29(31)56)75-78(69,70)76-77(67,68)71-15-24-28(55)30(57)36(73-24)49-12-10-26(54)48-40(49)66/h10,12,16-18,20-24,27-31,36,39,50-51,55-57H,5-9,11,13-15,41H2,1-4H3,(H,42,60)(H,43,61)(H,44,52)(H,45,53)(H,46,58)(H,47,59)(H,62,63)(H,64,65)(H,67,68)(H,69,70)(H,48,54,66)/t16-,17+,18+,20-,21+,22+,23+,24+,27+,28+,29+,30+,31+,36+,39+/m0/s1 Image of MNXM162003
SMILES (mnx)[CH3:1][C@@H:16]([C:32](=[N:46][C@H:21]([CH2:8][CH2:9][C:25](=[N:45][C@@H:20]([CH2:7][CH2:5][CH2:6][CH2:11][NH2:41])[C:35](=[N:43][C@H:17]([CH3:2])[C:33](=[N:47][C@H:22]([CH2:13][OH:50])[C:38](=[O:64])[OH:65])[OH:59])[OH:61])[OH:53])[C:37](=[O:62])[OH:63])[OH:58])[N:42]=[C:34]([C@@H:18]([CH3:3])[O:72][C@@H:31]1[C@@H:27]([N:44]=[C:19]([CH3:4])[OH:52])[C@@H:39]([O:75][P:78]([OH:69])(=[O:70])[O:76][P:77]([OH:67])(=[O:68])[O:71][CH2:15][C@@H:24]2[C@@H:28]([OH:55])[C@@H:30]([OH:57])[C@H:36]([N:49]3[CH:12]=[CH:10][C:26]([OH:54])=[N:48][C:40]3=[O:66])[O:73]2)[O:74][C@H:23]([CH2:14][OH:51])[C@H:29]1[OH:56])[OH:60]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176932
chebi:176932
ZDMTVXSZFHERFC-WMCZGLITSA-N 		UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)
(2R)-2-[[(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]-5-[[(2S)-6-amino-1-[[(2R)-1-[[(1R)-1-carboxy-2-hydroxyethyl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

sabiork.compound:24665
sabiorkM:24665
ZDMTVXSZFHERFC-WMCZGLITSA-N 		UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine

kegg.compound:C20873
keggC:C20873
ZDMTVXSZFHERFC-WMCZGLITSA-N 		UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine

keggC:M_C20873 		secondary/obsolete/fantasy identifier