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

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2-aminooctanoic acid

	Properties	Image
MNX_ID	MNXM34877
reference	chebi:75145
formula	C₈H₁₇NO₂
global charge	0
mol weight	159.229
InChIKey	AKVBCGQVQXPRLD-UHFFFAOYSA-N
InChI	InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)
SMILES	CCCCCCC(N)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7?
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH:7]([C:8](=[O:10])[OH:11])[NH2:9]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:75145 chebi:75145 AKVBCGQVQXPRLD-UHFFFAOYSA-N	2-aminooctanoic acid (+-)-2-aminooctanoic acid (+/-)-2-aminooctanoic acid 2-amino-DL-caprylic acid 2-aminocaprylic acid D,L-2-aminooctanoic acid DL-2-aminooctanoic acid DL-alpha-aminocaprylic acid NSC 20147 alpha-aminocaprylic acid alpha-aminooctanoic acid dl-2-aminocaprylic acid dl-alpha-amino-n-caprylic acid
CHEBI:142421 chebi:142421 AKVBCGQVQXPRLD-UHFFFAOYSA-O	1-carboxyheptan-1-aminium
seed.compound:cpd24436 seedM:cpd24436 AKVBCGQVQXPRLD-UHFFFAOYSA-N	2-aminocaprylate 2-aminocaprylic acid 2-aminooctanoic acid D,L-alpha-amino-caprylate DL-a-amino-caprylic acid alpha-aminocaprylic acid
metacyc.compound:CPD-3687 metacycM:CPD-3687 AKVBCGQVQXPRLD-UHFFFAOYSA-N	2-aminocaprylate 2-aminocaprylic acid 2-aminooctanoic acid D,L-alpha-amino-caprylate DL-alpha-amino-caprylic acid alpha-aminocaprylic acid
CHEBI:142420 chebi:142420 AKVBCGQVQXPRLD-UHFFFAOYSA-M	2-aminooctanoate
CHEBI:133660 chebi:133660 AKVBCGQVQXPRLD-UHFFFAOYSA-N	2-aminooctanoic acid zwitterion 2-aminooctanoic acid 2-azaniumyloctanoate
hmdb:HMDB0000991 AKVBCGQVQXPRLD-UHFFFAOYSA-N	DL-2-Aminooctanoic acid (+-)-2-Aminooctanoate (+-)-2-Aminooctanoic acid (+-)-2-aminooctanoic acid (+/-)-2-amino-octanoate (+/-)-2-amino-octanoic acid (+/-)-2-aminooctanoate (+/-)-2-aminooctanoic acid 2-Amino-DL-caprylate 2-Amino-DL-caprylic acid 2-Amino-DL-octanoate 2-Amino-DL-octanoic acid 2-Aminocaprylate 2-Aminocaprylic acid 2-Aminooctanoate 2-Aminooctanoic acid 2-aminooctanoic acid D,L-2-Aminooctanoate D,L-2-Aminooctanoic acid DL-2-Amino-octanoate DL-2-Aminocaprylate DL-2-Aminocaprylic acid DL-2-Aminooctanoate DL-a-Amino-N-caprylate DL-a-Amino-N-caprylic acid DL-a-Aminocaprylate DL-a-Aminocaprylic acid DL-alpha-Amino-N-caprylate DL-alpha-Amino-N-caprylic acid DL-alpha-Aminocaprylate DL-alpha-Aminocaprylic acid DL-alpha-amino-N-caprylate DL-alpha-amino-N-caprylic acid DL-alpha-aminocaprylate DL-alpha-aminocaprylic acid NSC 20147 a-Aminocaprylate a-Aminocaprylic acid a-Aminooctanoate a-Aminooctanoic acid alpha-Aminocaprylate alpha-Aminocaprylic acid alpha-Aminooctanoate alpha-Aminooctanoic acid alpha-aminocaprylate alpha-aminocaprylic acid alpha-aminooctanoate alpha-aminooctanoic acid
lipidmaps:LMFA01100056 lipidmapsM:LMFA01100056 AKVBCGQVQXPRLD-UHFFFAOYSA-N	DL-2-amino-octanoic acid 2-amino-octanoic acid
hmdb:HMDB00991 seedM:M_cpd24436	secondary/obsolete/fantasy identifier