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

PropertiesImage
MNX_IDMNXM1446 Image of MNXM1446
referencechebi:83905
formulaC35H51N7O26P2
global charge-4
mol weight1047.764
InChIKeyQUHLBZKCGUXHGP-BHBBPGSKSA-J
InChIInChI=1S/C35H55N7O26P2/c1-13(28(50)40-18(33(56)57)7-8-21(45)39-17(32(54)55)6-4-5-16(36)31(52)53)37-29(51)14(2)64-27-23(38-15(3)44)34(66-19(11-43)25(27)48)67-70(61,62)68-69(59,60)63-12-20-24(47)26(49)30(65-20)42-10-9-22(46)41-35(42)58/h9-10,13-14,16-20,23-27,30,34,43,47-49H,4-8,11-12,36H2,1-3H3,(H,37,51)(H,38,44)(H,39,45)(H,40,50)(H,52,53)(H,54,55)(H,56,57)(H,59,60)(H,61,62)(H,41,46,58)/p-4/t13-,14+,16+,17-,18+,19+,20+,23+,24+,25+,26+,27+,30+,34+/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)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C35H55N7O26P2/c1-13(28(50)40-18(33(56)57)7-8-21(45)39-17(32(54)55)6-4-5-16(36)31(52)53)37-29(51)14(2)64-27-23(38-15(3)44)34(66-19(11-43)25(27)48)67-70(61,62)68-69(59,60)63-12-20-24(47)26(49)30(65-20)42-10-9-22(46)41-35(42)58/h9-10,13-14,16-20,23-27,30,34,43,47-49H,4-8,11-12,36H2,1-3H3,(H,37,51)(H,38,44)(H,39,45)(H,40,50)(H,52,53)(H,54,55)(H,56,57)(H,59,60)(H,61,62)(H,41,46,58)/t13-,14+,16+,17-,18+,19+,20+,23+,24+,25+,26+,27+,30+,34+/m0/s1 Image of MNXM1446
SMILES (mnx)[CH3:1][C@@H:13]([C:28](=[N:40][C@H:18]([CH2:7][CH2:8][C:21](=[N:39][C@@H:17]([CH2:6][CH2:4][CH2:5][C@H:16]([C:31](=[O:52])[OH:53])[NH2:36])[C:32](=[O:54])[OH:55])[OH:45])[C:33](=[O:56])[OH:57])[OH:50])[N:37]=[C:29]([C@@H:14]([CH3:2])[O:64][C@@H:27]1[C@@H:23]([N:38]=[C:15]([CH3:3])[OH:44])[C@@H:34]([O:67][P:70]([OH:61])(=[O:62])[O:68][P:69]([OH:59])(=[O:60])[O:63][CH2:12][C@@H:20]2[C@@H:24]([OH:47])[C@@H:26]([OH:49])[C@H:30]([N:42]3[CH:10]=[CH:9][C:22]([OH:46])=[N:41][C:35]3=[O:58])[O:65]2)[O:66][C@H:19]([CH2:11][OH:43])[C@H:25]1[OH:48])[OH:51]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 9
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:83905
chebi:83905
QUHLBZKCGUXHGP-BHBBPGSKSA-J 		UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimelate
UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate(4-)

metacyc.compound:UDP-AAGM-DIAMINOHEPTANEDIOATE
metacycM:UDP-AAGM-DIAMINOHEPTANEDIOATE
QUHLBZKCGUXHGP-BHBBPGSKSA-J 		UDP-MurNAc-L-Ala-gamma-D-Glu-meso-DAP
UDP-MurNAc-L-Ala-gamma-D-Glu-meso-A2pm
UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioate
UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimelate
UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-diaminopimelate

CHEBI:84805
chebi:84805
QUHLBZKCGUXHGP-BHBBPGSKSA-N 		UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioic acid
UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-diaminopimelic acid

sabiork.compound:7640
sabiorkM:7640
QUHLBZKCGUXHGP-AJVQVANPSA-N 		UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6- diaminopimelate
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino- heptanedioate
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino-heptanedioate

CHEBI:58582
chebi:58582
QUHLBZKCGUXHGP-AJVQVANPSA-J 		UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate(4-)

CHEBI:28639
chebi:28639
QUHLBZKCGUXHGP-AJVQVANPSA-N 		UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioic acid
UDP-Mur2Ac-L-Ala-gamma-D-Glu-A2pm
uridine 5'-(3-{2-acetamido-2-deoxy-3-O-[(2R)-1-oxo-1-{[(2S)-1-{[(1R)-4-{[(2S,6R)-6-aminoheptan-2-yl]amino}-1-carboxy-4-oxobutyl]amino}-1-oxopropan-2-yl]amino}propan-2-yl]-D-glucopyranosyl} dihydrogen diphosphate)

bigg.metabolite:ugmd
biggM:ugmd
vmhM:ugmd
vmhmetabolite:ugmd
QUHLBZKCGUXHGP-UHFFFAOYSA-J 		UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimelate

seed.compound:cpd02964
seedM:cpd02964
QUHLBZKCGUXHGP-BHBBPGSKSA-J 		UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2-6-diaminopimelate
UDP-MurNAc-L-Ala-D-Glu-meso-A2pm
UDP-MurNAc-L-Ala-gamma-D-Glu-meso-A2pm
UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioate
UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimelate
UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-diaminopimelate
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6- diaminopimelate
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino- heptanedioate
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino-heptanedioate
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimelate
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimelate
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-diaminopimelate
ugmd

kegg.compound:C04877
keggC:C04877
QUHLBZKCGUXHGP-BHBBPGSKSA-N 		UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimelate
UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioate
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino-heptanedioate
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimelate
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioate

chebi:13460
chebi:13463
chebi:13481
chebi:22124
chebi:9831
biggM:M_ugmd
keggC:M_C04877
seedM:M_cpd02964
vmhM:M_ugmd 		secondary/obsolete/fantasy identifier