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Glutaminyl-Asparaginyl-Glutamine

PropertiesImage
MNX_IDMNXM744705 Image of MNXM744705
referencebiggM:glnasngln
formulaC14H24N6O7
global charge0
mol weight388.381
InChIKeyTWHDOEYLXXQYOZ-PRJMDXOYSA-N
InChIInChI=1S/C14H24N6O7/c15-6(1-3-9(16)21)12(24)20-8(5-11(18)23)13(25)19-7(14(26)27)2-4-10(17)22/h6-8H,1-5,15H2,(H2,16,21)(H2,17,22)(H2,18,23)(H,19,25)(H,20,24)(H,26,27)/t6-,7-,8+/m1/s1
SMILESNC(=O)CC[C@@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CCC(N)=O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C14H24N6O7/c15-6(1-3-9(16)21)12(24)20-8(5-11(18)23)13(25)19-7(14(26)27)2-4-10(17)22/h6-8H,1-5,15H2,(H2,16,21)(H2,17,22)(H2,18,23)(H,19,25)(H,20,24)(H,26,27)/t6-,7-,8+/m1/s1 Image of MNXM744705
SMILES (mnx)[CH2:1]([CH2:3][C:9](=[NH:16])[OH:21])[C@H:6]([C:12](=[N:20][C@@H:8]([CH2:5][C:11](=[NH:18])[OH:23])[C:13](=[N:19][C@H:7]([CH2:2][CH2:4][C:10](=[NH:17])[OH:22])[C:14](=[O:26])[OH:27])[OH:25])[OH:24])[NH2:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:glnasngln
biggM:glnasngln
vmhM:glnasngln
vmhmetabolite:glnasngln
TWHDOEYLXXQYOZ-PRJMDXOYSA-N
Glutaminyl-Asparaginyl-Glutamine

biggM:M_glnasngln
vmhM:M_glnasngln
secondary/obsolete/fantasy identifier