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

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Suberylglycine

	Properties	Image
MNX_ID	MNXM82866
reference	chebi:88811
formula	C₁₀H₁₇NO₅
global charge	0
mol weight	231.248
InChIKey	HXATVKDSYDWTCX-UHFFFAOYSA-N
InChI	InChI=1S/C10H17NO5/c12-8(11-7-10(15)16)5-3-1-2-4-6-9(13)14/h1-7H2,(H,11,12)(H,13,14)(H,15,16)
SMILES	O=C(O)CCCCCCC(=O)NCC(=O)O

MNX internals

InChI (mnx)	InChI=1/C10H17NO5/c12-8(11-7-10(15)16)5-3-1-2-4-6-9(13)14/h1-7H2,(H,11,12)(H,13,14)(H,15,16)
SMILES (mnx)	[CH2:1]([CH2:2][CH2:4][CH2:6][C:9](=[O:13])[OH:14])[CH2:3][CH2:5][C:8](=[N:11][CH2:7][C:10](=[O:15])[OH:16])[OH:12]

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:88811 chebi:88811 HXATVKDSYDWTCX-UHFFFAOYSA-N	Suberylglycine 7-[(carboxymethyl)carbamoyl]heptanoic acid Suberylglycin
seed.compound:cpd25310 seedM:cpd25310 HXATVKDSYDWTCX-UHFFFAOYSA-L	8-[(carboxymethyl)amino]-8-oxo-octanoic acid suberyl glycine
bigg.metabolite:subgly biggM:subgly vmhM:subgly vmhmetabolite:subgly HXATVKDSYDWTCX-UHFFFAOYSA-L	Suberyl-Glycine
hmdb:HMDB0000953 HXATVKDSYDWTCX-UHFFFAOYSA-N	Suberylglycine 7-(carboxymethylcarbamoyl)heptanoic acid 7-[(Carboxymethyl)-C-hydroxycarbonimidoyl]heptanoate 7-[(carboxymethyl)carbamoyl]heptanoic acid Suberylglycin
metacyc.compound:CPD-8484 metacycM:CPD-8484 HXATVKDSYDWTCX-UHFFFAOYSA-L	suberyl glycine 8-[(carboxymethyl)amino]-8-oxo-octanoic acid
hmdb:HMDB00953 biggM:M_subgly seedM:M_cpd25310 vmhM:M_subgly	secondary/obsolete/fantasy identifier