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

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Bungeanool

	Properties	Image
MNX_ID	MNXM1130762
reference	lipidmapsM:LMFA08020324
formula	C₁₈H₂₉NO₂
global charge	0
mol weight	291.435
InChIKey	HSFPMLIZJAVYHM-GTDPEVRFSA-N
InChI	InChI=1S/C18H29NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h5-6,8-9,12-15,21H,4,7,10-11,16H2,1-3H3,(H,19,20)/b6-5-,9-8-,13-12+,15-14+
SMILES	CC/C=C\C/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O

MNX internals

InChI (mnx)	InChI=1/C18H29NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h5-6,8-9,12-15,21H,4,7,10-11,16H2,1-3H3,(H,19,20)/b6-5-,9-8-,13-12+,15-14+
SMILES (mnx)	[CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10][CH2:11]/[CH:12]=[CH:13]/[CH:14]=[CH:15]/[C:17](=[N:19]/[CH2:16][C:18]([CH3:2])([CH3:3])[OH:21])[OH:20]

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
lipidmaps:LMFA08020324 lipidmapsM:LMFA08020324 HSFPMLIZJAVYHM-GTDPEVRFSA-N	Bungeanool 2'-hydroxy-N-(isobutyl)-tetradeca-2E,4E,8Z,11Z-tetraenamide NA 18:4 O