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

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1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-tetradecanoyl-sn-glycero-3-phosphate

	Properties	Image
MNX_ID	MNXM67044
reference	slm:000023697
formula	C₃₇H₆₁O₈P
global charge	-2
mol weight	664.861
InChIKey	SIPWDQFROXVJEA-AUVDMNDGSA-L
InChI	InChI=1S/C37H63O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,23,25,35H,3-4,6,8-10,12,14-15,18,21-22,24,26-34H2,1-2H3,(H2,40,41,42)/p-2/b7-5-,13-11-,17-16-,20-19-,25-23-/t35-/m1/s1
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C37H63O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,23,25,35H,3-4,6,8-10,12,14-15,18,21-22,24,26-34H2,1-2H3,(H2,40,41,42)/b7-5-,13-11-,17-16-,20-19-,25-23-/t35-/m1/s1
SMILES (mnx)	[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:22]/[CH:23]=[CH:25]\[CH2:27][CH2:29][CH2:31][C:36](=[O:38])[O:43][CH2:33][C@H:35]([CH2:34][O:44][P:46]([OH:40])([OH:41])=[O:42])[O:45][C:37]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:21][CH2:14][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:000023697 slm:000023697 SIPWDQFROXVJEA-AUVDMNDGSA-L	1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-tetradecanoyl-sn-glycero-3-phosphate PA(20:5(5Z,8Z,11Z,14Z,17Z)/14:0) Phosphatidate (20:5(5Z,8Z,11Z,14Z,17Z)/14:0)
hmdb:HMDB0115198 SIPWDQFROXVJEA-AUVDMNDGSA-N	PA(20:5(5Z,8Z,11Z,14Z,17Z)/14:0) (2R)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-(tetradecanoyloxy)propoxyphosphonic acid 1-eicosapentaenoyl-2-myristoyl-sn-glycero-3-phosphate 1-eicosapentaenoyl-2-myristoyl-sn-phosphatidic acid PA(20:5/14:0) PA(20:5n3/14:0) PA(20:5w3/14:0) PA(34:5) Phosphatidate(20:5(5Z,8Z,11Z,14Z,17Z)/14:0) Phosphatidate(20:5/14:0) Phosphatidate(20:5n3/14:0) Phosphatidate(20:5w3/14:0) Phosphatidate(34:5) Phosphatidic acid(20:5(5Z,8Z,11Z,14Z,17Z)/14:0) Phosphatidic acid(20:5/14:0) Phosphatidic acid(20:5n3/14:0) Phosphatidic acid(20:5w3/14:0) Phosphatidic acid(34:5) [(2R)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-(tetradecanoyloxy)propoxy]phosphonic acid
lipidmaps:LMGP10010649 lipidmapsM:LMGP10010649 SIPWDQFROXVJEA-AUVDMNDGSA-N	PA(20:5(5Z,8Z,11Z,14Z,17Z)/14:0) 1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-tetradecanoyl-glycero-3-phosphate PA 34:5 PA(14:0_20:5) PA(34:5)