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

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D-isoleucine

	Properties	Image
MNX_ID	MNXM11281
reference	chebi:193151
formula	C₆H₁₃NO₂
global charge	0
mol weight	131.175
InChIKey	AGPKZVBTJJNPAG-RFZPGFLSSA-N
InChI	InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
SMILES	CC[C@@H](C)[C@@H]([NH3+])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
SMILES (mnx)	[CH3:1][CH2:3][C@@H:4]([CH3:2])[C@H:5]([C:6](=[O:8])[OH:9])[NH2:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:193151 chebi:193151 AGPKZVBTJJNPAG-RFZPGFLSSA-N	D-isoleucine D-isoleucine zwitterion
kegg.compound:C06418 keggC:C06418 AGPKZVBTJJNPAG-RFZPGFLSSA-N	D-Isoleucine (2R,3R)-2-Amino-3-methylvaleric acid
seed.compound:cpd03841 seedM:cpd03841 AGPKZVBTJJNPAG-RFZPGFLSSA-N	D-Isoleucine (2R,3R)-2-Amino-3-methylvaleric acid (R)-2-Amino-(S)-3-methylvaleric acid D-isoleucine
sabiork.compound:2886 sabiorkM:2886 AGPKZVBTJJNPAG-RFZPGFLSSA-N	D-Isoleucine (R)-2-Amino-(S)-3-methylvaleric acid
CHEBI:32608 chebi:32608 AGPKZVBTJJNPAG-RFZPGFLSSA-M	D-isoleucinate (2R,3R)-2-amino-3-methylpentanoate D-isoleucine anion
CHEBI:27730 chebi:27730 AGPKZVBTJJNPAG-RFZPGFLSSA-N	D-isoleucine (2R,3R)-2-Amino-3-methylvaleric acid (2R,3R)-2-amino-3-methylpentanoic acid (R)-2-Amino-(S)-3-methylvaleric acid D-ISOLEUCINE D-Isoleucine DIL
metacyc.compound:CPD-12149 metacycM:CPD-12149 AGPKZVBTJJNPAG-RFZPGFLSSA-N	D-isoleucine D-Ile
CHEBI:32609 chebi:32609 AGPKZVBTJJNPAG-RFZPGFLSSA-O	D-isoleucinium (1R,2R)-1-carboxy-2-methylbutan-1-aminium D-isoleucine cation
chebi:21044 chebi:4201 chebi:42091 keggC:M_C06418 seedM:M_cpd03841	secondary/obsolete/fantasy identifier