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Arginyl-Glutamyl-Proline

PropertiesImage
MNX_IDMNXM744626 Image of MNXM744626
referencebiggM:argglupro
formulaC16H28N6O6
global charge0
mol weight400.436
InChIKeyHPSVTWMFWCHKFN-OUAUKWLOSA-N
InChIInChI=1S/C16H28N6O6/c17-9(3-1-7-20-16(18)19)13(25)21-10(5-6-12(23)24)14(26)22-8-2-4-11(22)15(27)28/h9-11H,1-8,17H2,(H,21,25)(H,23,24)(H,27,28)(H4,18,19,20)/t9-,10+,11-/m1/s1
SMILESNC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)O
MNX internals
InChI (mnx)InChI=1/C16H28N6O6/c17-9(3-1-7-20-16(18)19)13(25)21-10(5-6-12(23)24)14(26)22-8-2-4-11(22)15(27)28/h9-11H,1-8,17H2,(H,21,25)(H,23,24)(H,27,28)(H4,18,19,20)/t9-,10+,11-/m1/s1 Image of MNXM744626
SMILES (mnx)[CH2:1]([CH2:3][C@H:9]([C:13](=[N:21][C@@H:10]([CH2:5][CH2:6][C:12](=[O:23])[OH:24])[C:14]([N:22]1[CH2:8][CH2:2][CH2:4][C@@H:11]1[C:15](=[O:27])[OH:28])=[O:26])[OH:25])[NH2:17])[CH2:7][NH:20][C:16](=[NH:18])[NH2:19]
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:argglupro
biggM:argglupro
vmhM:argglupro
vmhmetabolite:argglupro
HPSVTWMFWCHKFN-OUAUKWLOSA-N
Arginyl-Glutamyl-Proline

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