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

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20-hydroxy-(5Z,8Z,11Z)-eicosatrienoate

	Properties	Image
MNX_ID	MNXM163160
reference	chebi:132026
formula	C₂₀H₃₃O₃
global charge	-1
mol weight	321.481
InChIKey	LPMWIQNZVQKTBR-DYRGNDFMSA-M
InChI	InChI=1S/C20H34O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6,10,12,21H,2,5,7-9,11,13-19H2,(H,22,23)/p-1/b3-1-,6-4-,12-10-
SMILES	O=C([O-])CCC/C=C\C/C=C\C/C=C\CCCCCCCCO

MNX internals

InChI (mnx)	InChI=1/C20H34O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6,10,12,21H,2,5,7-9,11,13-19H2,(H,22,23)/b3-1-,6-4-,12-10-
SMILES (mnx)	[CH:1](\[CH2:2]/[CH:4]=[CH:6]\[CH2:8]/[CH:10]=[CH:12]\[CH2:14][CH2:16][CH2:18][C:20](=[O:22])[OH:23])=[CH:3]\[CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][OH:21]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:132026 chebi:132026 LPMWIQNZVQKTBR-DYRGNDFMSA-M	20-hydroxy-(5Z,8Z,11Z)-eicosatrienoate (5Z,8Z,11Z)-20-hydroxyeicosatrienoate (5Z,8Z,11Z)-20-hydroxyicosa-5,8,11-trienoate (5Z,8Z,11Z)-20-hydroxyicosatrienoate 20-HETrE(1-) 20-hydroxy-(5Z,8Z,11Z)-icosatrienoate
metacyc.compound:CPD-24645 metacycM:CPD-24645 LPMWIQNZVQKTBR-DYRGNDFMSA-M	20-HETrE (5Z,8Z,11Z)-20-hydroxyeicosatrienoate (5Z,8Z,11Z)-20-hydroxyicosa-5,8,11-trienoate (5Z,8Z,11Z)-20-hydroxyicosatrienoate 20-hydroxy-(5Z,8Z,11Z)-eicosatrienoate 20-hydroxy-(5Z,8Z,11Z)-icosatrienoate
CHEBI:132324 chebi:132324 LPMWIQNZVQKTBR-DYRGNDFMSA-N	20-HETrE (5Z,8Z,11Z)-20-hydroxyeicosatrienoic acid (5Z,8Z,11Z)-20-hydroxyicosatrienoic acid 20-hydroxy-(5Z,8Z,11Z)-eicosatrienoic acid 20-hydroxy-(5Z,8Z,11Z)-icosatrienoic acid
SLM:000501469 slm:000501469 LPMWIQNZVQKTBR-DYRGNDFMSA-M	20-hydroxy-(5Z,8Z,11Z)-eicosatrienoate 20-HETrE 20H-(5Z,8Z,11Z)-ETrE