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

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1-dodecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol

	Properties	Image
MNX_ID	MNXM104353
reference	slm:000118216
formula	C₃₅H₅₈O₅
global charge	0
mol weight	558.844
InChIKey	QZPACLQYECQLMP-DOPDOVNOSA-N
InChI	InChI=1S/C35H58O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,22,24,33,36H,3-4,6,8-10,12,14,17,20-21,23,25-32H2,1-2H3/b7-5-,13-11-,16-15-,19-18-,24-22-/t33-/m0/s1
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C35H58O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,22,24,33,36H,3-4,6,8-10,12,14,17,20-21,23,25-32H2,1-2H3/b7-5-,13-11-,16-15-,19-18-,24-22-/t33-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:22]=[CH:24]\[CH2:26][CH2:28][CH2:30][C:35](=[O:38])[O:40][C@@H:33]([CH2:31][OH:36])[CH2:32][O:39][C:34]([CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:37]

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:000118216 slm:000118216 QZPACLQYECQLMP-DOPDOVNOSA-N	1-dodecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol DG(12:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) Diacylglycerol (12:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
lipidmaps:LMGL02010345 lipidmapsM:LMGL02010345 QZPACLQYECQLMP-DOPDOVNOSA-N	DG(12:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2] 1-dodecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol DG 32:5 DG(12:0_20:5) DG(32:5)