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

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L-homocitrulline

	Properties	Image
MNX_ID	MNXM4639
reference	chebi:58148
formula	C₇H₁₅N₃O₃
global charge	0
mol weight	189.215
InChIKey	XIGSAGMEBXLVJJ-YFKPBYRVSA-N
InChI	InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1
SMILES	NC(=O)NCCCC[C@H]([NH3+])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1
SMILES (mnx)	[CH2:1]([CH2:2][CH2:4][NH:10][C:7](=[NH:9])[OH:13])[CH2:3][C@@H:5]([C:6](=[O:11])[OH:12])[NH2:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58148 chebi:58148 XIGSAGMEBXLVJJ-YFKPBYRVSA-N	L-homocitrulline (2S)-2-azaniumyl-6-(carbamoylamino)hexanoate L-homocitrulline zwitterion homocitrulline
bigg.metabolite:hmcr biggM:hmcr XIGSAGMEBXLVJJ-YFKPBYRVSA-N	Homocitrulline
vmhM:hmcr vmhmetabolite:hmcr XIGSAGMEBXLVJJ-YFKPBYRVSA-N	Homocitrulline (2S)-2-amino-6-(carbamoylamino)hexanoic acid
hmdb:HMDB0000679 XIGSAGMEBXLVJJ-YFKPBYRVSA-N	Homocitrulline (2S)-2-amino-6-(carbamoylamino)hexanoic acid (S)-2-Amino-6-ureidohexanoic acid Homo-L-citrulline L-Homocitrulline N(6)-(Aminocarbonyl)-L-lysine N-e-Carbamyl-L-lysine N-epsilon-Carbamyl-L-lysine N-epsilon-carbamyl-L-lysine N6-(Aminocarbonyl)-L-lysine N6-Carbamoyl-L-lysine N6-Carbamoyl-lysine Ureidocaproic acid homocitrulline
sabiork.compound:2414 sabiorkM:2414 kegg.compound:C02427 keggC:C02427 XIGSAGMEBXLVJJ-YFKPBYRVSA-N	L-Homocitrulline
seed.compound:cpd01606 seedM:cpd01606 XIGSAGMEBXLVJJ-YFKPBYRVSA-N	L-Homocitrulline L-homocitrulline homocitrulline
CHEBI:17443 chebi:17443 XIGSAGMEBXLVJJ-YFKPBYRVSA-N	L-homocitrulline (2S)-2-amino-6-(carbamoylamino)hexanoic acid L-Homocitrulline N(6)-(aminocarbonyl)-L-lysine N(6)-carbamoyl-L-lysine
metacyc.compound:CPD-161 metacycM:CPD-161 XIGSAGMEBXLVJJ-YFKPBYRVSA-N	L-homocitrulline homocitrulline
hmdb:HMDB00679 chebi:13121 chebi:21328 chebi:6244 biggM:M_hmcr keggC:M_C02427 seedM:M_cpd01606 vmhM:M_hmcr	secondary/obsolete/fantasy identifier