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

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

	Properties	Image
MNX_ID	MNXM49766
reference	slm:000125129
formula	C₄₅H₈₂O₅
global charge	0
mol weight	703.146
InChIKey	OMGFXVNNLAOMMP-SWCYEABNSA-N
InChI	InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,43,46H,3-10,12,14-16,18,20-21,23,25-42H2,1-2H3/b13-11-,19-17-,24-22-/t43-/m0/s1
SMILES	CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,43,46H,3-10,12,14-16,18,20-21,23,25-42H2,1-2H3/b13-11-,19-17-,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][C@@H:43]([CH2:41][OH:46])[CH2:42][O:49][C:44]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:47]

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:000125129 slm:000125129 OMGFXVNNLAOMMP-SWCYEABNSA-N	1-eicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol DG(20:0/22:3(10Z,13Z,16Z)/0:0) Diacylglycerol (20:0/22:3(10Z,13Z,16Z)/0:0)
lipidmaps:LMGL02010221 lipidmapsM:LMGL02010221 OMGFXVNNLAOMMP-SWCYEABNSA-N	DG(20:0/22:3(10Z,13Z,16Z)/0:0)[iso2] 1-eicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol DG 42:3 DG(20:0/22:3/0:0)[iso2] DG(20:0_22:3) DG(42:3)