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

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heptadecanal

	Properties	Image
MNX_ID	MNXM18346
reference	chebi:138631
formula	C₁₇H₃₄O
global charge	0
mol weight	254.458
InChIKey	PIYDVAYKYBWPPY-UHFFFAOYSA-N
InChI	InChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h17H,2-16H2,1H3
SMILES	CCCCCCCCCCCCCCCCC=O

MNX internals

InChI (mnx)	InChI=1/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h17H,2-16H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH:17]=[O:18]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:138631 chebi:138631 PIYDVAYKYBWPPY-UHFFFAOYSA-N	heptadecanal 1-heptadecanal heptadecan-1-al hexadecyl aldehyde margaraldehyde n-heptadecanal
bigg.metabolite:hpdcal biggM:hpdcal	Heptadecanal
hmdb:HMDB0031039 PIYDVAYKYBWPPY-UHFFFAOYSA-N	Heptadecanal 1-Heptadecanal Heptadecan-1-al Hexadecyl aldehyde Margaraldehyde N-Heptadecanal heptadecanal
metacyc.compound:CPD-14719 metacycM:CPD-14719 seed.compound:cpd32910 seedM:cpd32910 SLM:000598025 slm:000598025 PIYDVAYKYBWPPY-UHFFFAOYSA-N	heptadecanal
lipidmaps:LMFA06000097 lipidmapsM:LMFA06000097 PIYDVAYKYBWPPY-UHFFFAOYSA-N	heptadecanal FAL 17:0 heptadecanal
seed.compound:cpd15610 seedM:cpd15610	heptadecanal hpdcal
hmdb:HMDB31039 biggM:M_hpdcal seedM:M_cpd15610 seedM:M_cpd32910	secondary/obsolete/fantasy identifier