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

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1-(10Z,13Z,16Z-docosatrienoyl)-3-(11Z,14Z,17Z-eicoastrienoyl)-sn-glycerol

	Properties	Image
MNX_ID	MNXM185586
reference	slm:000124927
formula	C₄₅H₇₆O₅
global charge	0
mol weight	697.098
InChIKey	KFHNNCXDWHDPGZ-RIFIFIBPSA-N
InChI	InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24,43,46H,3-5,7,9-10,15-16,21,23,25-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-/t43-/m0/s1
SMILES	CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC

MNX internals

InChI (mnx)	InChI=1/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24,43,46H,3-5,7,9-10,15-16,21,23,25-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-/t43-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:22]=[CH:24]\[CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:45](=[O:48])[O:50][CH2:42][C@H:43]([CH2:41][O:49][C:44]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:47])[OH:46]

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:000124927 slm:000124927 KFHNNCXDWHDPGZ-RIFIFIBPSA-N	1-(10Z,13Z,16Z-docosatrienoyl)-3-(11Z,14Z,17Z-eicoastrienoyl)-sn-glycerol DG(22:3(10Z,13Z,16Z)/0:0/20:3(11Z,14Z,17Z)) Diacylglycerol (22:3(10Z,13Z,16Z)/0:0/20:3(11Z,14Z,17Z))