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

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PE(39:4)

	Properties	Image
MNX_ID	MNXM71525
reference	chebi:189605
formula	C₄₄H₈₀NO₈P
global charge	0
mol weight	782.097
InChIKey	CECLOFYFVPZDIU-GXYHOHGQSA-N
InChI	InChI=1S/C44H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45)40-50-43(46)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,25,27,42H,3-10,12,14-16,18,20,23-24,26,28-41,45H2,1-2H3,(H,48,49)/b13-11-,19-17-,22-21-,27-25-/t42-/m1/s1
SMILES	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN

MNX internals

InChI (mnx)	InChI=1/C44H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45)40-50-43(46)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,25,27,42H,3-10,12,14-16,18,20,23-24,26,28-41,45H2,1-2H3,(H,48,49)/b13-11-,19-17-,22-21-,27-25-/t42-/m1/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]\[CH2:23]/[CH:25]=[CH:27]\[CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:44](=[O:47])[O:53][C@H:42]([CH2:40][O:50][C:43]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:46])[CH2:41][O:52][P:54]([OH:48])(=[O:49])[O:51][CH2:39][CH2:38][NH2:45]

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:189605 chebi:189605 CECLOFYFVPZDIU-GXYHOHGQSA-N	PE(39:4) [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-heptadecanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
SLM:000035519 slm:000035519 CECLOFYFVPZDIU-GXYHOHGQSA-N	1-heptadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphoethanolamine PE(17:0/22:4(7Z,10Z,13Z,16Z)) Phosphatidylethanolamine (17:0/22:4(7Z,10Z,13Z,16Z))
lipidmaps:LMGP02011279 lipidmapsM:LMGP02011279 CECLOFYFVPZDIU-GXYHOHGQSA-N	PE(17:0/22:4(7Z,10Z,13Z,16Z))-d5 1-heptadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phosphoethanolamine-1,1,2,3,3-d5 1-heptadecanoyl-2-docosatetraenoyl-sn-glycero(d5)-3-phosphoethanolamine
lipidmaps:LMGP02010560 lipidmapsM:LMGP02010560 CECLOFYFVPZDIU-GXYHOHGQSA-N	PE(17:0/22:4(7Z,10Z,13Z,16Z)) 1-heptadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phosphoethanolamine PE 39:4 PE(17:0_22:4) PE(39:4)