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

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1-tridecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol

	Properties	Image
MNX_ID	MNXM104386
reference	slm:000119568
formula	C₃₈H₆₂O₅
global charge	0
mol weight	598.909
InChIKey	FKHXHRLBMNWEKS-LXLIUTNNSA-N
InChI	InChI=1S/C38H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22-23,27,29,36,39H,3-4,6,8-10,12,14-15,18,21,24-26,28,30-35H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,23-22-,29-27-/t36-/m0/s1
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C38H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22-23,27,29,36,39H,3-4,6,8-10,12,14-15,18,21,24-26,28,30-35H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,23-22-,29-27-/t36-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:25]/[CH:27]=[CH:29]\[CH2:31][CH2:33][C:38](=[O:41])[O:43][C@@H:36]([CH2:34][OH:39])[CH2:35][O:42][C:37]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:40]

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:000119568 slm:000119568 FKHXHRLBMNWEKS-LXLIUTNNSA-N	1-tridecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol DG(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) Diacylglycerol (13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
lipidmaps:LMGL02010377 lipidmapsM:LMGL02010377 FKHXHRLBMNWEKS-LXLIUTNNSA-N	DG(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] 1-tridecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol DG 35:6 DG(13:0_22:6) DG(35:6)