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

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Linolenyl linolenate

	Properties	Image
MNX_ID	MNXM106208
reference	chebi:165660
formula	C₃₆H₆₀O₂
global charge	0
mol weight	524.874
InChIKey	LZUIYJJRANHRNH-YTWBPVBXSA-N
InChI	InChI=1S/C36H60O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20H,3-4,9-10,15-16,21-35H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-
SMILES	CC/C=C\C/C=C\C/C=C\CCCCCCCCOC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC

MNX internals

InChI (mnx)	InChI=1/C36H60O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20H,3-4,9-10,15-16,21-35H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-
SMILES (mnx)	[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][O:38][C:36]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:37]

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:165660 chebi:165660 LZUIYJJRANHRNH-YTWBPVBXSA-N	Linolenyl linolenate [(9Z,12Z,15Z)-octadeca-9,12,15-trienyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
lipidmaps:LMFA07010141 lipidmapsM:LMFA07010141 LZUIYJJRANHRNH-YTWBPVBXSA-N	Linolenyl linolenate 9Z,12Z,15Z-octadecatrienyl 9Z,12Z,15Z-octadecatrienoate WE 36:6 WE(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))