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

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1-tridecanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphoethanolamine

	Properties	Image
MNX_ID	MNXM71230
reference	slm:000036546
formula	C₃₈H₇₀NO₈P
global charge	0
mol weight	699.951
InChIKey	FJGGKCIODUWCEV-IDSPQAJUSA-N
InChI	InChI=1S/C38H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-14-12-10-8-6-4-2/h11,13,16-17,19-20,36H,3-10,12,14-15,18,21-35,39H2,1-2H3,(H,42,43)/b13-11-,17-16-,20-19-/t36-/m1/s1
SMILES	CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+]

MNX internals

InChI (mnx)	InChI=1/C38H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-14-12-10-8-6-4-2/h11,13,16-17,19-20,36H,3-10,12,14-15,18,21-35,39H2,1-2H3,(H,42,43)/b13-11-,17-16-,20-19-/t36-/m1/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:38](=[O:41])[O:47][C@H:36]([CH2:34][O:44][C:37]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:40])[CH2:35][O:46][P:48]([OH:42])(=[O:43])[O:45][CH2:33][CH2:32][NH2:39]

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:000036546 slm:000036546 FJGGKCIODUWCEV-IDSPQAJUSA-N	1-tridecanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphoethanolamine PE(13:0/20:3(8Z,11Z,14Z)) Phosphatidylethanolamine (13:0/20:3(8Z,11Z,14Z))
lipidmaps:LMGP02010398 lipidmapsM:LMGP02010398 FJGGKCIODUWCEV-IDSPQAJUSA-N	PE(13:0/20:3(8Z,11Z,14Z)) 1-tridecanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphoethanolamine PE 33:3 PE(13:0_20:3) PE(33:3)