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

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pentanal

	Properties	Image
MNX_ID	MNXM730613
reference	chebi:84069
formula	C₅H₁₀O
global charge	0
mol weight	86.134
InChIKey	HGBOYTHUEUWSSQ-UHFFFAOYSA-N
InChI	InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
SMILES	CCCCC=O

MNX internals

InChI (mnx)	InChI=1/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH:5]=[O:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	22
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84069 chebi:84069 HGBOYTHUEUWSSQ-UHFFFAOYSA-N	pentanal Amyl aldehyde Amylaldehyde Pentyl aldehyde Valeral Valeric aldehyde Valeryl aldehyde Valerylaldehyde n-Pentanal n-Valeraldehyde valeraldehyde
sabiork.compound:21112 sabiorkM:21112 HGBOYTHUEUWSSQ-UHFFFAOYSA-N	1-Pentanal Valeraldehyde
metacyc.compound:CPD-9053 metacycM:CPD-9053 HGBOYTHUEUWSSQ-UHFFFAOYSA-N	1-pentanal amylaldehyde butyl formal n-pentanal n-valeraldehyde valeral valeraldehyde valeric aldehyde valeryl aldehyde
SLM:000399867 slm:000399867 HGBOYTHUEUWSSQ-UHFFFAOYSA-N	Pentanal
hmdb:HMDB0031206 HGBOYTHUEUWSSQ-UHFFFAOYSA-N	Pentanal 1-Pentanal Amyl aldehyde Amylaldehyde Butyl formal FEMA 3098 N-C4H9CHO N-Pentanal N-Valeraldehyde N-Valeraldehyde, 8ci N-Valeric aldehyde PNO Pentan-1-al Pentanal (valeraldehyde) Pentyl aldehyde Pentylaldehyde Valeral Valeraldehyde Valerianic aldehyde Valeric acid aldehyde Valeric aldehyde Valeryl aldehyde Valerylaldehyde pentanal
lipidmaps:LMFA06000251 lipidmapsM:LMFA06000251 HGBOYTHUEUWSSQ-UHFFFAOYSA-N	Pentanal FAL 5:0 Pentanal
sabiork.compound:18848 sabiorkM:18848 HGBOYTHUEUWSSQ-UHFFFAOYSA-N	Pentanal Valeraldehyde n-Pentanal
envipath:...3d18455a56b7 envipathM:...3d18455a56b7 HGBOYTHUEUWSSQ-UHFFFAOYSA-N	compound 0045875
seed.compound:cpd15621 seedM:cpd15621 HGBOYTHUEUWSSQ-UHFFFAOYSA-N	pentanal 1-pentanal amylaldehyde butyl formal n-pentanal n-valeraldehyde ptal valeral valeraldehyde valeric aldehyde valeryl aldehyde
hmdb:HMDB31206 chebi:45074 seedM:M_cpd15621	secondary/obsolete/fantasy identifier