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

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15-HETE-EA

	Properties	Image
MNX_ID	MNXM33436
reference	chebi:165580
formula	C₂₂H₃₇NO₃
global charge	0
mol weight	363.542
InChIKey	XZQKRCUYLKDPEK-USWFWKISSA-N
InChI	InChI=1S/C22H37NO3/c1-2-3-13-16-21(25)17-14-11-9-7-5-4-6-8-10-12-15-18-22(26)23-19-20-24/h4-5,8-11,14,17,21,24-25H,2-3,6-7,12-13,15-16,18-20H2,1H3,(H,23,26)/b5-4-,10-8-,11-9-,17-14+
SMILES	CCCCCC(O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO

MNX internals

InChI (mnx)	InChI=1/C22H37NO3/c1-2-3-13-16-21(25)17-14-11-9-7-5-4-6-8-10-12-15-18-22(26)23-19-20-24/h4-5,8-11,14,17,21,24-25H,2-3,6-7,12-13,15-16,18-20H2,1H3,(H,23,26)/b5-4-,10-8-,11-9-,17-14+/t21?
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:13][CH2:16][CH:21](/[CH:17]=[CH:14]/[CH:11]=[CH:9]\[CH2:7]/[CH:5]=[CH:4]\[CH2:6]/[CH:8]=[CH:10]\[CH2:12][CH2:15][CH2:18][C:22](=[N:23][CH2:19][CH2:20][OH:24])[OH:26])[OH:25]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:165580 chebi:165580 XZQKRCUYLKDPEK-USWFWKISSA-N	15-HETE-EA (5Z,8Z,11Z,13E)-15-hydroxy-N-(2-hydroxyethyl)icosa-5,8,11,13-tetraenamide
lipidmaps:LMFA08040040 lipidmapsM:LMFA08040040 XZQKRCUYLKDPEK-USWFWKISSA-N	15-HETE-EA 15HETE-ethanolamine N-(15-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoyl)-ethanolamine NAE 20:4 O