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

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TG(46:4)

	Properties	Image
MNX_ID	MNXM109272
reference	chebi:189618
formula	C₄₉H₈₆O₆
global charge	0
mol weight	771.221
InChIKey	LUMJHSXYRIOCEV-NXQBDKFQSA-N
InChI	InChI=1S/C49H86O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-27-28-31-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-30-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-17-14-11-8-5-2/h16,19,21-22,24-25,27-28,46H,4-15,17-18,20,23,26,29-45H2,1-3H3/b19-16-,22-21-,25-24-,28-27-/t46-/m1/s1
SMILES	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C49H86O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-27-28-31-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-30-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-17-14-11-8-5-2/h16,19,21-22,24-25,27-28,46H,4-15,17-18,20,23,26,29-45H2,1-3H3/b19-16-,22-21-,25-24-,28-27-/t46-/m1/s1
SMILES (mnx)	[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:31][CH2:33][CH2:36][CH2:39][CH2:42][C:48](=[O:51])[O:54][CH2:45][C@@H:46]([CH2:44][O:53][C:47]([CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:50])[O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:30][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:52]

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:189618 chebi:189618 LUMJHSXYRIOCEV-NXQBDKFQSA-N	TG(46:4) [(2R)-2,3-di(dodecanoyloxy)propyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
SLM:000130591 slm:000130591 LUMJHSXYRIOCEV-NXQBDKFQSA-N	1,2-didodecanoyl-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol TG(12:0/12:0/22:4(7Z,10Z,13Z,16Z)) Triacylglycerol (12:0/12:0/22:4(7Z,10Z,13Z,16Z))
lipidmaps:LMGL03012656 lipidmapsM:LMGL03012656 LUMJHSXYRIOCEV-NXQBDKFQSA-N	TG(12:0/12:0/22:4(7Z,10Z,13Z,16Z))[iso3] 1,2-didodecanoyl-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol TG 46:4 TG(12:0_12:0_22:4) TG(46:4)