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1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM32527 Image of MNXM32527
referencechebi:75038
formulaC41H80NO8P
global charge0
mol weight746.064
InChIKeyJQKOHRZNEOQNJE-DJEJVYNPSA-N
InChIInChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/b20-18-/t39-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+]
MNX internals
InChI (mnx)InChI=1/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/b20-18-/t39-/m1/s1 Image of MNXM32527
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:40](=[O:43])[O:47][CH2:37][C@H:39]([CH2:38][O:49][P:51]([OH:45])(=[O:46])[O:48][CH2:36][CH2:35][NH2:42])[O:50][C:41]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:75038
chebi:75038
JQKOHRZNEOQNJE-DJEJVYNPSA-N 		1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
1-octadecanoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphoethanolamine zwitterion
1-stearoyl-2-oleoyl-GPE
1-stearoyl-2-oleoyl-GPE (18:0/18:1)
1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion
2-azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate
2-azaniumylethyl (2R)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl phosphate
GPE(18:0/18:1)
PE 18:0/18:1(omega-9)

metacyc.compound:CPD-8289
metacycM:CPD-8289
seed.compound:cpd25140
seedM:cpd25140
JQKOHRZNEOQNJE-DJEJVYNPSA-N 		1-18:0-2-18:1-phosphatidylethanolamine
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
18:0-18:1-PE
phosphatidylethanolamine (1-18:0-2-18:1)

SLM:000036001
slm:000036001
JQKOHRZNEOQNJE-DJEJVYNPSA-N 		1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
PE(18:0/18:1(9Z))
Phosphatidylethanolamine (18:0/18:1(9Z))
hmdb:HMDB0008993
JQKOHRZNEOQNJE-DJEJVYNPSA-N 		PE(18:0/18:1(9Z))
(2-aminoethoxy)[(2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid
1-Octadecanoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphoethanolamine
1-Octadecanoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphoethanolamine zwitterion
1-Octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
1-Stearoyl-2-oleoyl-gpe
1-Stearoyl-2-oleoyl-gpe (18:0/18:1)
1-Stearoyl-2-oleoyl-phosphatidyethanolamine
1-Stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine
1-Stearoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine
1-Stearoyl-2-oleoyl-sn-glycerol-3-phosphoethanolamine
1-Stearoyl-2-oleoylglycero-3-phosphorylethanolamine
1-Stearoyl-2-oleoylphosphatidylethanolamine
2-Azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate
2-Azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphoric acid
2-aminoethoxy((2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy)phosphinic acid
GPE(18:0/18:1(9Z))
GPE(18:0/18:1)
GPE(18:0/18:1W9)
GPE(18:0/18:1n9)
GPE(36:1)
GPEtn(18:0/18:1(9Z))
GPEtn(18:0/18:1)
GPEtn(18:0/18:1W9)
GPEtn(18:0/18:1n9)
GPEtn(36:1)
PE 18:0/18:1(omega-9)
PE(18:0/18:1)
PE(18:0/18:1N9)
PE(18:0/18:1W9)
PE(36:1)
Phophatidylethanolamine(18:0/18:1)
Phophatidylethanolamine(36:1)
Phosphatidylethanolamine(18:0/18:1(9Z))
Phosphatidylethanolamine(18:0/18:1)
Phosphatidylethanolamine(18:0/18:1W9)
Phosphatidylethanolamine(18:0/18:1n9)
Phosphatidylethanolamine(36:1)
SOPE

lipidmaps:LMGP02010036
lipidmapsM:LMGP02010036
JQKOHRZNEOQNJE-DJEJVYNPSA-N 		PE(18:0/18:1(9Z))
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
9-Octadecenoic acid (Z)-, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-(1-octadecenyloxy)ethyl ester, (R)-
PE 36:1
PE(18:0/18:1)
PE(18:0_18:1)
PE(36:1)

hmdb:HMDB0005330
hmdb:HMDB05330
hmdb:HMDB08993
seedM:M_cpd25140 		secondary/obsolete/fantasy identifier