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PE(20:1(11Z)/18:2(9Z,12Z))

PropertiesImage
MNX_IDMNXM32601 Image of MNXM32601
referencechebi:171353
formulaC43H80NO8P
global charge0
mol weight770.086
InChIKeyMHGHFPQRNCAGQZ-IHDWCTMISA-N
InChIInChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,41H,3-11,13,15-16,20,22-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-/t41-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN
MNX internals
InChI (mnx)InChI=1/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,41H,3-11,13,15-16,20,22-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-/t41-/m1/s1 Image of MNXM32601
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:42](=[O:45])[O:49][CH2:39][C@H:41]([CH2:40][O:51][P:53]([OH:47])(=[O:48])[O:50][CH2:38][CH2:37][NH2:44])[O:52][C:43]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24]/[CH:21]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:46]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:171353
chebi:171353
MHGHFPQRNCAGQZ-IHDWCTMISA-N 		PE(20:1(11Z)/18:2(9Z,12Z))
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (Z)-icos-11-enoate

seed.compound:cpd25221
seedM:cpd25221
MHGHFPQRNCAGQZ-IHDWCTMISA-N 		1-(11Z-eicosenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
1-(11Z-icosenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
1-20:1-2-18:2-phosphatidylethanolamine
20:1-18:2-PE
phosphatidylethanolamine (1-20:1-2-18:2)

SLM:000030945
slm:000030945
MHGHFPQRNCAGQZ-IHDWCTMISA-N 		1-(11Z-eicosenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
PE(20:1(11Z)/18:2(9Z,12Z))
Phosphatidylethanolamine (20:1(11Z)/18:2(9Z,12Z))

metacyc.compound:CPD-8384
metacycM:CPD-8384
MHGHFPQRNCAGQZ-IHDWCTMISA-N 		1-20:1-2-18:2-phosphatidylethanolamine
1-(11Z-eicosenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
1-(11Z-icosenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
20:1-18:2-PE
phosphatidylethanolamine (1-20:1-2-18:2)
hmdb:HMDB0009258
MHGHFPQRNCAGQZ-IHDWCTMISA-N 		PE(20:1(11Z)/18:2(9Z,12Z))
(2-aminoethoxy)[(2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid
1-(11-Eicosenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
1-Eicosenoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphinic acid
GPEtn(20:1/18:2)
GPEtn(38:3)
PE(20:1/18:2)
PE(38:3)
Phophatidylethanolamine(20:1/18:2)
Phophatidylethanolamine(38:3)

lipidmaps:LMGP02010854
lipidmapsM:LMGP02010854
MHGHFPQRNCAGQZ-IHDWCTMISA-N 		PE(20:1(11Z)/18:2(9Z,12Z))
1-(11Z-eicosenoyl)-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphoethanolamine
PE 38:3
PE(18:2_20:1)
PE(38:3)

hmdb:HMDB09258
seedM:M_cpd25221 		secondary/obsolete/fantasy identifier