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

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1-dodecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine

	Properties	Image
MNX_ID	MNXM71206
reference	slm:000035271
formula	C₃₉H₆₆NO₈P
global charge	0
mol weight	707.93
InChIKey	VLGPATQSVYRXRL-QCZQZEMVSA-N
InChI	InChI=1S/C39H66NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,21-22,26,28,37H,3-4,6,8-10,12,14,17,20,23-25,27,29-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,16-15-,19-18-,22-21-,28-26-/t37-/m1/s1
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC[NH3+]

MNX internals

InChI (mnx)	InChI=1/C39H66NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,21-22,26,28,37H,3-4,6,8-10,12,14,17,20,23-25,27,29-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,16-15-,19-18-,22-21-,28-26-/t37-/m1/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:21]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30][CH2:32][C:39](=[O:42])[O:48][C@H:37]([CH2:35][O:45][C:38]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:41])[CH2:36][O:47][P:49]([OH:43])(=[O:44])[O:46][CH2:34][CH2:33][NH2:40]

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:000035271 slm:000035271 VLGPATQSVYRXRL-QCZQZEMVSA-N	1-dodecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine PE(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Phosphatidylethanolamine (12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
lipidmaps:LMGP02011257 lipidmapsM:LMGP02011257 VLGPATQSVYRXRL-QCZQZEMVSA-N	PE(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-dodecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phosphoethanolamine PE 34:6 PE(12:0_22:6) PE(34:6)