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

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TG(40:1)

	Properties	Image
MNX_ID	MNXM109249
reference	chebi:189611
formula	C₄₃H₈₀O₆
global charge	0
mol weight	693.107
InChIKey	GKTDXHXZBFIZJU-OIJJMQLXSA-N
InChI	InChI=1S/C43H80O6/c1-4-7-10-13-16-19-20-21-22-25-27-30-33-36-42(45)48-39-40(49-43(46)37-34-31-28-24-18-15-12-9-6-3)38-47-41(44)35-32-29-26-23-17-14-11-8-5-2/h19-20,40H,4-18,21-39H2,1-3H3/b20-19-/t40-/m1/s1
SMILES	CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C43H80O6/c1-4-7-10-13-16-19-20-21-22-25-27-30-33-36-42(45)48-39-40(49-43(46)37-34-31-28-24-18-15-12-9-6-3)38-47-41(44)35-32-29-26-23-17-14-11-8-5-2/h19-20,40H,4-18,21-39H2,1-3H3/b20-19-/t40-/m1/s1
SMILES (mnx)	[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:25][CH2:27][CH2:30][CH2:33][CH2:36][C:42](=[O:45])[O:48][CH2:39][C@@H:40]([CH2:38][O:47][C:41]([CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:44])[O:49][C:43]([CH2:37][CH2:34][CH2:31][CH2:28][CH2:24][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O: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
CHEBI:189611 chebi:189611 GKTDXHXZBFIZJU-OIJJMQLXSA-N	TG(40:1) [(2R)-2,3-di(dodecanoyloxy)propyl] (Z)-hexadec-9-enoate
SLM:000124504 slm:000124504 GKTDXHXZBFIZJU-OIJJMQLXSA-N	1,2-didodecanoyl-3-(9Z-hexadecenoyl)-sn-glycerol TG(12:0/12:0/16:1(9Z)) Triacylglycerol (12:0/12:0/16:1(9Z))
lipidmaps:LMGL03012633 lipidmapsM:LMGL03012633 GKTDXHXZBFIZJU-OIJJMQLXSA-N	TG(12:0/12:0/16:1(9Z))[iso3] 1,2-didodecanoyl-3-(9Z-hexadecenoyl)-sn-glycerol TG 40:1 TG(12:0_12:0_16:1) TG(40:1)