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

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undecanal

	Properties	Image
MNX_ID	MNXM29216
reference	chebi:46202
formula	C₁₁H₂₂O
global charge	0
mol weight	170.296
InChIKey	KMPQYAYAQWNLME-UHFFFAOYSA-N
InChI	InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
SMILES	CCCCCCCCCCC=O

MNX internals

InChI (mnx)	InChI=1/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH:11]=[O:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9737303 reactomeM:R-ALL-9737303 CHEBI:46202 chebi:46202 KMPQYAYAQWNLME-UHFFFAOYSA-N	undecanal Undecanaldehyde Undecylaldehyde Undecylic aldehyde n-Undecanal undecyl aldehyde
bigg.metabolite:udcal biggM:udcal sabiork.compound:26230 sabiorkM:26230 KMPQYAYAQWNLME-UHFFFAOYSA-N	Undecanal
hmdb:HMDB0030941 KMPQYAYAQWNLME-UHFFFAOYSA-N	Undecanal 1-Undecanal Aldehyde C-11 C11 Aldehyde FEMA 3092 Hendecanal Hendecanaldehyde N-Indecyl aldehyde N-Undecanal Undecanaldehyde Undecyl aldehyde Undecylaldehyde Undecylic aldehyde undecanal
SLM:000501216 slm:000501216 KMPQYAYAQWNLME-UHFFFAOYSA-N	undecanal
lipidmaps:LMFA06000064 lipidmapsM:LMFA06000064 KMPQYAYAQWNLME-UHFFFAOYSA-N	undecanal FAL 11:0 undecanal
seed.compound:cpd15644 seedM:cpd15644 KMPQYAYAQWNLME-UHFFFAOYSA-N	undecanal udcal
hmdb:HMDB30941 biggM:M_udcal seedM:M_cpd15644	secondary/obsolete/fantasy identifier