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

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1-dodecanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol

	Properties	Image
MNX_ID	MNXM104358
reference	slm:000119183
formula	C₃₇H₆₆O₅
global charge	0
mol weight	590.93
InChIKey	MNZUTDHFQFBFJK-PFILCAEUSA-N
InChI	InChI=1S/C37H66O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-12-10-8-6-4-2/h11,13,15-16,18-19,35,38H,3-10,12,14,17,20-34H2,1-2H3/b13-11-,16-15-,19-18-/t35-/m0/s1
SMILES	CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C37H66O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-12-10-8-6-4-2/h11,13,15-16,18-19,35,38H,3-10,12,14,17,20-34H2,1-2H3/b13-11-,16-15-,19-18-/t35-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:37](=[O:40])[O:42][C@@H:35]([CH2:33][OH:38])[CH2:34][O:41][C:36]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:39]

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:000119183 slm:000119183 MNZUTDHFQFBFJK-PFILCAEUSA-N	1-dodecanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol DG(12:0/22:3(10Z,13Z,16Z)/0:0) Diacylglycerol (12:0/22:3(10Z,13Z,16Z)/0:0)
lipidmaps:LMGL02010350 lipidmapsM:LMGL02010350 MNZUTDHFQFBFJK-PFILCAEUSA-N	DG(12:0/22:3(10Z,13Z,16Z)/0:0)[iso2] 1-dodecanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol DG 34:3 DG(12:0_22:3) DG(34:3)