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Neuromedin B (1-3)

PropertiesImage
MNX_IDMNXM64493 Image of MNXM64493
referencechebi:174895
formulaC12H22N4O5
global charge0
mol weight302.331
InChIKeyJVWPPCWUDRJGAE-JGVFFNPUSA-N
InChIInChI=1S/C12H22N4O5/c1-6(2)3-8(12(20)21)16-11(19)7(4-9(14)17)15-10(18)5-13/h6-8H,3-5,13H2,1-2H3,(H2,14,17)(H,15,18)(H,16,19)(H,20,21)/t7-,8+/m0/s1
SMILESCC(C)C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(=O)O
MNX internals
InChI (mnx)InChI=1/C12H22N4O5/c1-6(2)3-8(12(20)21)16-11(19)7(4-9(14)17)15-10(18)5-13/h6-8H,3-5,13H2,1-2H3,(H2,14,17)(H,15,18)(H,16,19)(H,20,21)/t7-,8+/m0/s1 Image of MNXM64493
SMILES (mnx)[CH3:1][CH:6]([CH3:2])[CH2:3][C@H:8]([C:12](=[O:20])[OH:21])[N:16]=[C:11]([C@H:7]([CH2:4][C:9](=[NH:14])[OH:17])[N:15]=[C:10]([CH2:5][NH2:13])[OH:18])[OH:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:174895
chebi:174895
JVWPPCWUDRJGAE-JGVFFNPUSA-N 		Neuromedin B (1-3)
(2R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid

bigg.metabolite:CE5795
biggM:CE5795
JVWPPCWUDRJGAE-JGVFFNPUSA-N 		Neuromedin B (1-3)
hmdb:HMDB0013016
JVWPPCWUDRJGAE-JGVFFNPUSA-N 		Neuromedin B (1-3)
(2R)-2-[(2S)-2-(2-aminoacetamido)-3-(C-hydroxycarbonimidoyl)propanamido]-4-methylpentanoic acid
(2R)-2-{[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}-4-methylpentanoate
Gly-asn-leu

vmhM:CE5795
vmhmetabolite:CE5795
JVWPPCWUDRJGAE-JGVFFNPUSA-N 		neuromedin B (1-3)
(2R)-2-[(2S)-2-(2-aminoacetamido)-3-(C-hydroxycarbonimidoyl)propanamido]-4-methylpentanoic acid

hmdb:HMDB13016
biggM:M_CE5795
vmhM:M_CE5795 		secondary/obsolete/fantasy identifier