MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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ornaline

	Properties	Image
MNX_ID	MNXM20096
reference	metacycM:CPD-15816
formula	C₁₀H₁₇N₂O₆
global charge	-1
mol weight	261.254
InChIKey	UXZAXFPFSQRZOZ-NKWVEPMBSA-M
InChI	InChI=1S/C10H18N2O6/c11-5-1-2-6(9(15)16)12-7(10(17)18)3-4-8(13)14/h6-7,12H,1-5,11H2,(H,13,14)(H,15,16)(H,17,18)/p-1/t6-,7+/m0/s1
SMILES	[NH3+]CCC[C@H]([NH2+][C@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C10H18N2O6/c11-5-1-2-6(9(15)16)12-7(10(17)18)3-4-8(13)14/h6-7,12H,1-5,11H2,(H,13,14)(H,15,16)(H,17,18)/t6-,7+/m0/s1
SMILES (mnx)	[CH2:1]([CH2:2][C@@H:6]([C:9](=[O:15])[OH:16])[NH:12][C@H:7]([CH2:3][CH2:4][C:8](=[O:13])[OH:14])[C:10](=[O:17])[OH:18])[CH2:5][NH2:11]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-15816 metacycM:CPD-15816 UXZAXFPFSQRZOZ-NKWVEPMBSA-M	ornaline 2-[(5-amino-1-hydroxy-1-oxopentan-2-yl)amino]pentanedioic acid nopalinic acid
seed.compound:cpd01163 seedM:cpd01163 UXZAXFPFSQRZOZ-UHFFFAOYSA-M	D-Ornaline 2-[(5-amino-1-hydroxy-1-oxopentan-2-yl)amino]pentanedioic acid Nopalinic acid Ornaline nopalinic acid, ornaline
hmdb:HMDB0029437 UXZAXFPFSQRZOZ-UHFFFAOYSA-N	Nopalinic acid 2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid N-(4-Amino-1-carboxybutyl)glutamic acid, 9ci N2-(1,3-Dicarboxypropyl)ornithine Nopalinate Ornaline
kegg.compound:C01683 keggC:C01683 UXZAXFPFSQRZOZ-UHFFFAOYSA-N	Ornaline Nopalinic acid
CHEBI:133921 chebi:133921 UXZAXFPFSQRZOZ-UHFFFAOYSA-N	ornaline N-(4-amino-1-carboxybutyl)glutamic acid N2-(1,3-Dicarboxypropyl)ornithine Nopalinic acid
hmdb:HMDB29437 chebi:4219 keggC:M_C01683 seedM:M_cpd01163	secondary/obsolete/fantasy identifier