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

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DG(18:4(6Z,9Z,12Z,15Z)/22:3(10Z,13Z,16Z)/0:0)[iso2]

	Properties	Image
MNX_ID	MNXM104446
reference	chebi:178504
formula	C₄₃H₇₀O₅
global charge	0
mol weight	667.028
InChIKey	NPJRPTRACDFCLD-GBHXGEPVSA-N
InChI	InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,27,29,41,44H,3-5,7,9-10,15-16,20,24-26,28,30-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,29-27-/t41-/m0/s1
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC

MNX internals

InChI (mnx)	InChI=1/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,27,29,41,44H,3-5,7,9-10,15-16,20,24-26,28,30-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,29-27-/t41-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:43](=[O:46])[O:48][C@@H:41]([CH2:39][OH:44])[CH2:40][O:47][C:42]([CH2:37][CH2:35][CH2:33][CH2:31]/[CH:29]=[CH:27]\[CH2:25]/[CH:23]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:45]

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:178504 chebi:178504 NPJRPTRACDFCLD-GBHXGEPVSA-N	DG(18:4(6Z,9Z,12Z,15Z)/22:3(10Z,13Z,16Z)/0:0)[iso2] [(2S)-1-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate
SLM:000123034 slm:000123034 NPJRPTRACDFCLD-GBHXGEPVSA-N	1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol DG(18:4(6Z,9Z,12Z,15Z)/22:3(10Z,13Z,16Z)/0:0) Diacylglycerol (18:4(6Z,9Z,12Z,15Z)/22:3(10Z,13Z,16Z)/0:0)
lipidmaps:LMGL02010518 lipidmapsM:LMGL02010518 NPJRPTRACDFCLD-GBHXGEPVSA-N	DG(18:4(6Z,9Z,12Z,15Z)/22:3(10Z,13Z,16Z)/0:0)[iso2] 1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol DG 40:7 DG(18:4_22:3) DG(40:7)