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

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linoelaidic acid

	Properties	Image
MNX_ID	MNXM1108070
reference	chebi:75108
formula	C₁₈H₃₂O₂
global charge	0
mol weight	280.452
InChIKey	OYHQOLUKZRVURQ-AVQMFFATSA-N
InChI	InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9+
SMILES	CCCCC/C=C/C/C=C/CCCCCCCC(=O)O

MNX internals

InChI (mnx)	InChI=1/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9+
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]/[CH2:8]/[CH:9]=[CH:10]/[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[OH:20]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	10

Similar chemical compounds in external resources
Identifier	Description
CHEBI:75108 chebi:75108 OYHQOLUKZRVURQ-AVQMFFATSA-N	linoelaidic acid (9E,12E)-octadeca-9,12-dienoic acid 18:2, n-6,9 all-trans 9E,12E-octadecadienoic acid C18:2, n-6,9 all-trans trans-9,trans-12-Linoleic acid
bigg.metabolite:lneldc biggM:lneldc OYHQOLUKZRVURQ-AVQMFFATSA-M	Linoelaidic acid (all trans C18:2)
hmdb:HMDB0006270 OYHQOLUKZRVURQ-AVQMFFATSA-N	Linoelaidic acid (9E,12E)-9,12-Octadecadienoate (9E,12E)-9,12-Octadecadienoic acid (9E,12E)-octadeca-9,12-dienoic acid 18:2, N-6,9 all-trans 9 trans,12 trans Octadecadienoic acid 9,12 Octadecadienoic acid 9,12-Octadecadienoic acid 9-trans,12-trans-Octadecadienoic acid 9E,12E-Octadecadienoate 9E,12E-Octadecadienoic acid Acid, 9,12-octadecadienoic C18:2, N-6,9 all-trans Linoelaidate Linoelaidic acid, (e,Z)-isomer Linoleate Linoleic acid Linoleic acid, (Z,Z)-isomer Linoleic acid, (Z,Z)-isomer, 14C-labeled Linoleic acid, (Z,e)-isomer Linoleic acid, (e,e)-isomer Linoleic acid, ammonium salt, (Z,Z)-isomer Linoleic acid, calcium salt, (Z,Z)-isomer Linoleic acid, potassium salt, (Z,Z)-isomer Linoleic acid, sodium salt, (Z,Z)-isomer Linoleic acid, sodium salt, (e,e)-isomer Linolelaidic acid cis,cis-9,12-Octadecadienoic acid linoelaidic acid trans,trans-9,12-Octadecadienoic acid trans-9,trans-12-Linoleate trans-9,trans-12-Linoleic acid
lipidmaps:LMFA01030123 lipidmapsM:LMFA01030123 OYHQOLUKZRVURQ-AVQMFFATSA-N	Linoelaidic acid 9E,12E-octadecadienoic acid C18:2n-6,9 FA 18:2 Linelaidic acid Linolelaidic acid
vmhM:lneldc vmhmetabolite:lneldc OYHQOLUKZRVURQ-AVQMFFATSA-M	linoelaidic acid (all trans C18:2)
hmdb:HMDB06270 biggM:M_lneldc vmhM:M_lneldc	secondary/obsolete/fantasy identifier