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Neuromedin B (1-3)

Properties

Image

Occurences in reactions

MNX_ID

MNXM64493

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	2

formula

C₁₂H₂₂N₄O₅

charge

mass

302.15902

reference

InChIKey

JVWPPCWUDRJGAE-JGVFFNPUSA-N

InChI

InChI=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

SMILES

CC(C)C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:174895 chebi:174895	Neuromedin B (1-3) (2R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid
bigg.metabolite:CE5795 biggM:CE5795	Neuromedin B (1-3)
hmdb:HMDB0013016	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
hmdb:HMDB13016 biggM:M_CE5795	secondary/obsolete/fantasy identifier