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Dynorphin A (6-8)

PropertiesImage
MNX_IDMNXM51735 Image of MNXM51735
referencechebi:169292
formulaC18H37N9O4
global charge0
mol weight443.553
InChIKeyBHSYMWWMVRPCPA-FVCCEPFGSA-N
InChIInChI=1S/C18H37N9O4/c1-3-10(2)13(16(30)31)27-15(29)12(7-5-9-25-18(22)23)26-14(28)11(19)6-4-8-24-17(20)21/h10-13H,3-9,19H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)(H4,20,21,24)(H4,22,23,25)/t10-,11-,12+,13-/m1/s1
SMILESCC[C@@H](C)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)C(=O)O
MNX internals
InChI (mnx)InChI=1/C18H37N9O4/c1-3-10(2)13(16(30)31)27-15(29)12(7-5-9-25-18(22)23)26-14(28)11(19)6-4-8-24-17(20)21/h10-13H,3-9,19H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)(H4,20,21,24)(H4,22,23,25)/t10-,11-,12+,13-/m1/s1 Image of MNXM51735
SMILES (mnx)[CH3:1][CH2:3][C@@H:10]([CH3:2])[C@H:13]([C:16](=[O:30])[OH:31])[N:27]=[C:15]([C@H:12]([CH2:7][CH2:5][CH2:9][NH:25][C:18](=[NH:22])[NH2:23])[N:26]=[C:14]([C@@H:11]([CH2:6][CH2:4][CH2:8][NH:24][C:17](=[NH:20])[NH2:21])[NH2:19])[OH:28])[OH:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:169292
chebi:169292
BHSYMWWMVRPCPA-FVCCEPFGSA-N 		Dynorphin A (6-8)
(2R,3R)-2-[[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoic acid

bigg.metabolite:CE2890
biggM:CE2890
BHSYMWWMVRPCPA-FVCCEPFGSA-P 		Dynorphin A (6-8)
hmdb:HMDB0012932
BHSYMWWMVRPCPA-FVCCEPFGSA-N 		Dynorphin A (6-8)
(2R,3R)-2-[(2S)-2-[(2R)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-methylpentanoic acid
(2R,3R)-2-{[(2S)-2-{[(2R)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-3-methylpentanoate

vmhM:CE2890
vmhmetabolite:CE2890
BHSYMWWMVRPCPA-FVCCEPFGSA-P 		dynorphin A (6-8)

hmdb:HMDB12932
biggM:M_CE2890
vmhM:M_CE2890 		secondary/obsolete/fantasy identifier