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octanedioate

Properties

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Occurences in reactions

MNX_ID

MNXM12964

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	6

formula

C₈H₁₂O₄

charge

-2

mass

172.07466

reference

chebi:76282

InChIKey

TYFQFVWCELRYAO-UHFFFAOYSA-L

InChI

InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)/p-2

SMILES

O=C([O-])CCCCCCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76282 chebi:76282	octanedioate C8-DCA(2-) octanedioate(2-) suberate suberate(2-)
SLM:000000721 slm:000000721	Octanedioate
bigg.metabolite:subeac biggM:subeac	Suberic acid
hmdb:HMDB0000893	Suberic acid 1,6-Dicarboxyhexane 1,6-Hexanedicarboxylate 1,6-Hexanedicarboxylic acid 1,8-Octanedioate 1,8-Octanedioic acid Cork acid Hexamethylenedicarboxylate Hexamethylenedicarboxylic acid Korksaeure Octane-1,8-dioate Octane-1,8-dioic acid Octanedioate Octanedioic acid Oktandisaeure Suberate Suberic acid, cadmium (1:1) salt Suberic acid, dipotassium salt Suberic acid, disodium salt Suberic acid, manganese (+2) (1:1) salt Suberic acid, monosodium salt Suberinsaeure octanedioic acid suberic acid
kegg.compound:C08278 keggC:C08278	Suberic acid 1,6-Hexanedicarboxylic acid 1,8-Octanedioic acid Cork acid Octanedioic acid
lipidmaps:LMFA01170001 lipidmapsM:LMFA01170001	Suberic acid 1,8-octanedioic acid Cork acid FA 8:1 O2
seed.compound:cpd05193 seedM:cpd05193	suberate 1,6-Hexanedicarboxylic acid 1,6-hexanedicarboxylic acid 1,8-Octanedioic acid 1,8-octanedioic acid Cork acid Octanedioic acid SUBERATE Suberic acid octanedioate octanedioic acid suberic acid
metacyc.compound:CPD0-1264 metacycM:CPD0-1264	suberate 1,6-hexanedicarboxylic acid 1,8-octanedioic acid octanedioate octanedioic acid suberic acid
CHEBI:132953 chebi:132953	suberate octanedioic acid anion octanedioic acid anions suberate anion suberate anions suberates suberic acid anion suberic acid anions
CHEBI:9300 chebi:9300	suberic acid 1,6-Hexanedicarboxylic acid 1,6-dicarboxyhexane 1,8-Octanedioic acid Cork acid Korksaeure Octanedioic acid Oktandisaeure Suberic acid Suberinsaeure hexamethylenedicarboxylic acid octane-1,8-dioic acid octanedioic acid
hmdb:HMDB0000837 hmdb:HMDB00837 hmdb:HMDB00893 biggM:M_subeac keggC:M_C08278 seedM:M_cpd05193	secondary/obsolete/fantasy identifier