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

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1-dodecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol

	Properties	Image
MNX_ID	MNXM104359
reference	slm:000119100
formula	C₃₇H₆₄O₅
global charge	0
mol weight	588.914
InChIKey	FOHKRLPKUKMHMX-BCSABKBQSA-N
InChI	InChI=1S/C37H64O5/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/h11,13,15-16,18-19,21-22,35,38H,3-10,12,14,17,20,23-34H2,1-2H3/b13-11-,16-15-,19-18-,22-21-/t35-/m0/s1
SMILES	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C37H64O5/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/h11,13,15-16,18-19,21-22,35,38H,3-10,12,14,17,20,23-34H2,1-2H3/b13-11-,16-15-,19-18-,22-21-/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]/[CH:21]=[CH: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:000119100 slm:000119100 FOHKRLPKUKMHMX-BCSABKBQSA-N	1-dodecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol DG(12:0/22:4(7Z,10Z,13Z,16Z)/0:0) Diacylglycerol (12:0/22:4(7Z,10Z,13Z,16Z)/0:0)
lipidmaps:LMGL02010351 lipidmapsM:LMGL02010351 FOHKRLPKUKMHMX-BCSABKBQSA-N	DG(12:0/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2] 1-dodecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol DG 34:4 DG(12:0_22:4) DG(34:4)