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

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undecanoate

	Properties	Image
MNX_ID	MNXM13228
reference	chebi:32369
formula	C₁₁H₂₁O₂
global charge	-1
mol weight	185.287
InChIKey	ZDPHROOEEOARMN-UHFFFAOYSA-M
InChI	InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)/p-1
SMILES	CCCCCCCCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][C:11](=[O:12])[OH:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	6

Similar chemical compounds in external resources
Identifier	Description
CHEBI:32369 chebi:32369 ZDPHROOEEOARMN-UHFFFAOYSA-M	undecanoate 1-decanecarboxylate CH3-[CH2]9-COO(-) hendecanoate n-undecanoate n-undecoate n-undecylate undecoate undecylate
bigg.metabolite:udca biggM:udca sabiork.compound:26229 sabiorkM:26229 SLM:000389946 slm:000389946 ZDPHROOEEOARMN-UHFFFAOYSA-M ZDPHROOEEOARMN-UHFFFAOYSA-N	Undecanoate
hmdb:HMDB0000947 ZDPHROOEEOARMN-UHFFFAOYSA-N	Undecanoic acid 1-Decanecarboxylate 1-Decanecarboxylic acid 1N-Undecoic acid CH3-[CH2]9-COOH FA(11:0) Hendecanoate Hendecanoic acid N-Undecanoate N-Undecanoic acid N-Undecoate N-Undecoic acid N-Undecylate N-Undecylic acid UDA Undecanoate Undecoate Undecoic acid Undecylate Undecylic acid Undekansaeure undecanoic acid
kegg.compound:C17715 keggC:C17715 ZDPHROOEEOARMN-UHFFFAOYSA-N	Undecanoic acid Hendecanoic acid
vmhM:M03117 vmhmetabolite:M03117 ZDPHROOEEOARMN-UHFFFAOYSA-M	Undecanoic acid undecanoic acid
bigg.metabolite:M03117 biggM:M03117 ZDPHROOEEOARMN-UHFFFAOYSA-N	Undecylic Acid
lipidmaps:LMFA01010011 lipidmapsM:LMFA01010011 ZDPHROOEEOARMN-UHFFFAOYSA-N	Undecylic acid C11:0 FA 11:0 Hendecanoic acid undecanoic acid
envipath:...a71cb816f946 envipathM:...a71cb816f946 ZDPHROOEEOARMN-UHFFFAOYSA-M	compound 0050082
seed.compound:cpd15643 seedM:cpd15643 ZDPHROOEEOARMN-UHFFFAOYSA-M	undecanoate Hendecanoic acid Undecanoic acid udca
metacyc.compound:CPD-23301 metacycM:CPD-23301 ZDPHROOEEOARMN-UHFFFAOYSA-M	undecanoate hendecanoate n-undecanoate n-undecoate n-undecylate undecanoic acid undecoate undecylate
CHEBI:32368 chebi:32368 ZDPHROOEEOARMN-UHFFFAOYSA-N	undecanoic acid 1-decanecarboxylic acid CH3-[CH2]9-COOH Hendecanoic acid UDA Undekansaeure hendecanoic acid n-undecanoic acid n-undecoic acid n-undecylic acid undecoic acid undecylic acid
hmdb:HMDB00947 biggM:M_M03117 biggM:M_udca keggC:M_C17715 seedM:M_cpd15643 vmhM:M_M03117	secondary/obsolete/fantasy identifier