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Dynorphin B (10-13)

PropertiesImage
MNX_IDMNXM51740 Image of MNXM51740
referencechebi:169592
formulaC20H39N5O6
global charge0
mol weight445.561
InChIKeyVSLCIGXQLCYQTD-NPJQDHAYSA-N
InChIInChI=1S/C20H39N5O6/c1-10(2)14(23-17(27)13(22)8-6-7-9-21)18(28)24-15(11(3)4)19(29)25-16(12(5)26)20(30)31/h10-16,26H,6-9,21-22H2,1-5H3,(H,23,27)(H,24,28)(H,25,29)(H,30,31)/t12-,13+,14-,15+,16-/m0/s1
SMILESCC(C)[C@H](NC(=O)[C@H](N)CCCCN)C(=O)N[C@@H](C(=O)N[C@H](C(=O)O)[C@H](C)O)C(C)C
MNX internals
InChI (mnx)InChI=1/C20H39N5O6/c1-10(2)14(23-17(27)13(22)8-6-7-9-21)18(28)24-15(11(3)4)19(29)25-16(12(5)26)20(30)31/h10-16,26H,6-9,21-22H2,1-5H3,(H,23,27)(H,24,28)(H,25,29)(H,30,31)/t12-,13+,14-,15+,16-/m0/s1 Image of MNXM51740
SMILES (mnx)[CH3:1][CH:10]([CH3:2])[C@@H:14]([C:18](=[N:24][C@H:15]([CH:11]([CH3:3])[CH3:4])[C:19](=[N:25][C@@H:16]([C@H:12]([CH3:5])[OH:26])[C:20](=[O:30])[OH:31])[OH:29])[OH:28])[N:23]=[C:17]([C@@H:13]([CH2:8][CH2:6][CH2:7][CH2:9][NH2:21])[NH2:22])[OH:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:169592
chebi:169592
VSLCIGXQLCYQTD-NPJQDHAYSA-N 		Dynorphin B (10-13)
(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2,6-diaminohexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid

bigg.metabolite:CE4753
biggM:CE4753
VSLCIGXQLCYQTD-NPJQDHAYSA-O 		Dynorphin B (10-13)
hmdb:HMDB0012936
VSLCIGXQLCYQTD-NPJQDHAYSA-N 		Dynorphin B (10-13)
(2S,3S)-2-[(2R)-2-[(2S)-2-[(2R)-2,6-diaminohexanamido]-3-methylbutanamido]-3-methylbutanamido]-3-hydroxybutanoic acid
(2S,3S)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2,6-diamino-1-hydroxyhexylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-3-hydroxybutanoate
Lys-val-val-THR

vmhM:CE4753
vmhmetabolite:CE4753
VSLCIGXQLCYQTD-NPJQDHAYSA-O 		dynorphin B (10-13)

hmdb:HMDB12936
biggM:M_CE4753
vmhM:M_CE4753 		secondary/obsolete/fantasy identifier