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

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docosanedioate

	Properties	Image
MNX_ID	MNXM11428
reference	chebi:76299
formula	C₂₂H₄₀O₄
global charge	-2
mol weight	368.558
InChIKey	DGXRZJSPDXZJFG-UHFFFAOYSA-L
InChI	InChI=1S/C22H42O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(25)26/h1-20H2,(H,23,24)(H,25,26)/p-2
SMILES	O=C([O-])CCCCCCCCCCCCCCCCCCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C22H42O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(25)26/h1-20H2,(H,23,24)(H,25,26)
SMILES (mnx)	[CH2:1]([CH2:2][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][C:22](=[O:25])[OH:26])[CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][C:21](=[O:23])[OH:24]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	7

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76299 chebi:76299 DGXRZJSPDXZJFG-UHFFFAOYSA-L	docosanedioate C22:0-DCA(2-) docosanedioate(2-)
SLM:000389360 slm:000389360 DGXRZJSPDXZJFG-UHFFFAOYSA-L	Docosanedioate
kegg.compound:C19625 keggC:C19625 DGXRZJSPDXZJFG-UHFFFAOYSA-N	Docosanedioate Docosanedioic acid
seed.compound:cpd20878 seedM:cpd20878 DGXRZJSPDXZJFG-UHFFFAOYSA-L	Docosanedioate docosanedioate docosanedioic acid
hmdb:HMDB0242127 DGXRZJSPDXZJFG-UHFFFAOYSA-N	Docosanedioic acid 1,20-Eicosanedicarboxylate 1,20-Eicosanedicarboxylic acid 1,20-Icosanedicarboxylate 1,20-Icosanedicarboxylic acid 1,22-Docosanedioate 1,22-Docosanedioic acid Docosanedioate Felogenate Felogenic acid Phellogenate Phellogenic acid docosanedioic acid
bigg.metabolite:docosdiac biggM:docosdiac DGXRZJSPDXZJFG-UHFFFAOYSA-L	Docosanedioicacid
lipidmaps:LMFA01170037 lipidmapsM:LMFA01170037 DGXRZJSPDXZJFG-UHFFFAOYSA-N	Phellogenic acid Docosan-1,22-dioic acid Docosanedioic acid FA 22:1 Felogenic acid O2
hmdb:HMDB0304342 DGXRZJSPDXZJFG-UHFFFAOYSA-L	docosanedioate C22:0-DCA(2-) Docosanedioate Docosanedioic acid Docosanedioic acid(2-)
metacyc.compound:CPD-13101 metacycM:CPD-13101 DGXRZJSPDXZJFG-UHFFFAOYSA-L	docosanedioate docosanedioic acid
CHEBI:76319 chebi:76319 DGXRZJSPDXZJFG-UHFFFAOYSA-N	docosanedioic acid 1,20-Eicosanedicarboxylic acid 1,20-icosanedicarboxylic acid 1,22-Docosanedioic acid Felogenic acid Phellogenic acid
vmhM:docosdiac vmhmetabolite:docosdiac DGXRZJSPDXZJFG-UHFFFAOYSA-L	docosanedioicacid
biggM:M_docosdiac keggC:M_C19625 seedM:M_cpd20878 vmhM:M_docosdiac	secondary/obsolete/fantasy identifier