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

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4-octylphenol

	Properties	Image
MNX_ID	MNXM37692
reference	chebi:34432
formula	C₁₄H₂₂O
global charge	0
mol weight	206.329
InChIKey	NTDQQZYCCIDJRK-UHFFFAOYSA-N
InChI	InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3
SMILES	CCCCCCCCC1=CC=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][C:13]1=[CH:10][CH:12]=[C:14]([OH:15])[CH:11]=[CH:9]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:34432 chebi:34432 NTDQQZYCCIDJRK-UHFFFAOYSA-N	4-octylphenol 1-(p-hydroxyphenyl)octane 4-n-octylphenol p-octylphenol
hmdb:HMDB0246557 NTDQQZYCCIDJRK-UHFFFAOYSA-N	4-Octylphenol 1-(p-Hydroxyphenyl)octane 4-N-Octylphenol 4-Octylphenol barium 4-Octylphenol potassium 4-Octylphenol sodium 4-octylphenol p-Octylphenol
sabiork.compound:21431 sabiorkM:21431 NTDQQZYCCIDJRK-UHFFFAOYSA-N	4-Octylphenol 4-n-Octylphenol
seed.compound:cpd09833 seedM:cpd09833 kegg.compound:C14132 keggC:C14132 NTDQQZYCCIDJRK-UHFFFAOYSA-N	4-Octylphenol 4-n-Octylphenol p-Octylphenol
keggC:M_C14132 seedM:M_cpd09833	secondary/obsolete/fantasy identifier