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

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decanedioate

	Properties	Image
MNX_ID	MNXM730743
reference	chebi:76283
formula	C₁₀H₁₆O₄
global charge	-2
mol weight	200.234
InChIKey	CXMXRPHRNRROMY-UHFFFAOYSA-L
InChI	InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)/p-2
SMILES	O=C([O-])CCCCCCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
SMILES (mnx)	[CH2:1]([CH2:2][CH2:4][CH2:6][CH2:8][C:10](=[O:13])[OH:14])[CH2:3][CH2:5][CH2:7][C:9](=[O:11])[OH:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	8

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76283 chebi:76283 CXMXRPHRNRROMY-UHFFFAOYSA-L	decanedioate C10-DCA(2-) decanedioate(2-) sebacate sebacate(2-)
SLM:000000722 slm:000000722 CXMXRPHRNRROMY-UHFFFAOYSA-L	Decanedioate
hmdb:HMDB0000792 CXMXRPHRNRROMY-UHFFFAOYSA-N	Sebacic acid 1,10-Decanedioate 1,10-Decanedioic acid 1,8-Dicarboxyoctane 1,8-Octanedicarboxylate 1,8-Octanedicarboxylic acid 4,7-Dioxosebacic acid 4-Oxodecanedioate 4-Oxodecanedioic acid Acide sebacique Decanedicarboxylic acid Decanedioate Decanedioic acid Dicarboxylic acid C10 Ipomic acid N-Decanedioate N-Decanedioic acid Sebacate Sebacic acid, aluminum salt Sebacic acid, monocadmium salt Sebacic acid, sodium salt Sebacic acids Sebacinsaeure Sebacinsaure Seracic acid decanedioic acid sebacic acid
kegg.compound:C08277 keggC:C08277 CXMXRPHRNRROMY-UHFFFAOYSA-N	Sebacic acid Decanedioic acid
lipidmaps:LMFA01170006 lipidmapsM:LMFA01170006 CXMXRPHRNRROMY-UHFFFAOYSA-N	Sebacic acid Decanedioic acid FA 10:1 Ipomic acid Iponic acid O2
bigg.metabolite:sebacid biggM:sebacid CXMXRPHRNRROMY-UHFFFAOYSA-L	Sebacicacid
seed.compound:cpd05192 seedM:cpd05192 CXMXRPHRNRROMY-UHFFFAOYSA-L	sebacate 1,10-decanedioic acid 1,8-Octanedicarboxylic acid CPD-3623 Decanedioic acid Sebacic acid decanedicarboxylic acid decanedioic acid n-decanedioic acid sebacic acid
metacyc.compound:CPD-3623 metacycM:CPD-3623 CXMXRPHRNRROMY-UHFFFAOYSA-L	sebacate 1,10-decanedioic acid 1,8-Octanedicarboxylic acid decanedicarboxylic acid decanedioic acid n-decanedioic acid sebacic acid
CHEBI:41865 chebi:41865 CXMXRPHRNRROMY-UHFFFAOYSA-N	sebacic acid 1,10-decanedioic acid 1,8-dicarboxyoctane Decanedioic acid SEBACIC ACID Sebacic acid Sebacinsaeure decanedioic acid
vmhM:sebacid vmhmetabolite:sebacid CXMXRPHRNRROMY-UHFFFAOYSA-L	sebacicacid decanedioic acid
hmdb:HMDB00792 chebi:41860 chebi:9071 biggM:M_sebacid keggC:M_C08277 seedM:M_cpd05192 vmhM:M_sebacid	secondary/obsolete/fantasy identifier