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

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1-(8Z,11Z,14Z-eicosatrienoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphate

	Properties	Image
MNX_ID	MNXM66991
reference	slm:000024687
formula	C₄₁H₆₇O₈P
global charge	-2
mol weight	718.953
InChIKey	DIYSKRVLPLFAQN-SIXIQDSKSA-L
InChI	InChI=1S/C41H69O8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(42)47-37-39(38-48-50(44,45)46)49-41(43)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,39H,3-10,15-16,20,24-25,27,29-38H2,1-2H3,(H2,44,45,46)/p-2/b13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t39-/m1/s1
SMILES	CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC

MNX internals

InChI (mnx)	InChI=1/C41H69O8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(42)47-37-39(38-48-50(44,45)46)49-41(43)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,39H,3-10,15-16,20,24-25,27,29-38H2,1-2H3,(H2,44,45,46)/b13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t39-/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:22]=[CH:23]\[CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:40](=[O:42])[O:47][CH2:37][C@H:39]([CH2:38][O:48][P:50]([OH:44])([OH:45])=[O:46])[O:49][C:41]([CH2:36][CH2:34][CH2:32][CH2:30]/[CH:28]=[CH:26]\[CH2:24]/[CH:21]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:43]

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:000024687 slm:000024687 DIYSKRVLPLFAQN-SIXIQDSKSA-L	1-(8Z,11Z,14Z-eicosatrienoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphate PA(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z)) Phosphatidate (20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z))
hmdb:HMDB0115569 DIYSKRVLPLFAQN-SIXIQDSKSA-N	PA(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z))
lipidmaps:LMGP10010601 lipidmapsM:LMGP10010601 DIYSKRVLPLFAQN-SIXIQDSKSA-N	PA(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z)) 1-(8Z,11Z,14Z-eicosatrienoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phosphate PA 38:6 PA(18:3_20:3) PA(38:6)