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

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1-(9Z-tetradecenoyl)-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol

	Properties	Image
MNX_ID	MNXM104400
reference	slm:000120401
formula	C₃₉H₆₈O₅
global charge	0
mol weight	616.968
InChIKey	RDLXNORAIPUUQU-KJHGAPSJSA-N
InChI	InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h10-13,16-17,19-20,37,40H,3-9,14-15,18,21-36H2,1-2H3/b12-10-,13-11-,17-16-,20-19-/t37-/m0/s1
SMILES	CCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC

MNX internals

InChI (mnx)	InChI=1/C39H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h10-13,16-17,19-20,37,40H,3-9,14-15,18,21-36H2,1-2H3/b12-10-,13-11-,17-16-,20-19-/t37-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:39](=[O:42])[O:44][C@@H:37]([CH2:35][OH:40])[CH2:36][O:43][C:38]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:41]

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
SLM:000120401 slm:000120401 RDLXNORAIPUUQU-KJHGAPSJSA-N	1-(9Z-tetradecenoyl)-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol DG(14:1(9Z)/22:3(10Z,13Z,16Z)/0:0) Diacylglycerol (14:1(9Z)/22:3(10Z,13Z,16Z)/0:0)
lipidmaps:LMGL02010422 lipidmapsM:LMGL02010422 RDLXNORAIPUUQU-KJHGAPSJSA-N	DG(14:1(9Z)/22:3(10Z,13Z,16Z)/0:0)[iso2] 1-(9Z-tetradecenoyl)-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol DG 36:4 DG(14:1_22:3) DG(36:4)