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1-(15Z-tetracosenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM32639 Image of MNXM32639
referenceslm:000031972
formulaC47H88NO8P
global charge0
mol weight826.194
InChIKeyBCNDGUIVFJJLQK-PTCCBAGUSA-N
InChIInChI=1S/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,45H,3-11,13,15-16,20-24,26-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,25-18-/t45-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[NH3+]
MNX internals
InChI (mnx)InChI=1/C47H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,45H,3-11,13,15-16,20-24,26-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,25-18-/t45-/m1/s1 Image of MNXM32639
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:46](=[O:49])[O:53][CH2:43][C@H:45]([CH2:44][O:55][P:57]([OH:51])(=[O:52])[O:54][CH2:42][CH2:41][NH2:48])[O:56][C:47]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28]/[CH:25]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:50]
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

SLM:000031972
slm:000031972
BCNDGUIVFJJLQK-PTCCBAGUSA-N 		1-(15Z-tetracosenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
PE(24:1(15Z)/18:2(9Z,12Z))
Phosphatidylethanolamine (24:1(15Z)/18:2(9Z,12Z))

seed.compound:cpd25231
seedM:cpd25231
BCNDGUIVFJJLQK-PTCCBAGUSA-N 		1-(15Z-tetracosenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
1-24:1-2-18:2-phosphatidylethanolamine
24:1-18:2-PE
phosphatidylethanolamine (1-24:1-2-18:2)

metacyc.compound:CPD-8394
metacycM:CPD-8394
BCNDGUIVFJJLQK-PTCCBAGUSA-N 		1-24:1-2-18:2-phosphatidylethanolamine
1-(15Z-tetracosenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
24:1-18:2-PE
phosphatidylethanolamine (1-24:1-2-18:2)
hmdb:HMDB0009753
BCNDGUIVFJJLQK-PTCCBAGUSA-N 		PE(24:1(15Z)/18:2(9Z,12Z))
(2-aminoethoxy)[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-[(15Z)-tetracos-15-enoyloxy]propoxy]phosphinic acid
1-(15Z-Tetracosanoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
1-Nervonoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-[(15Z)-tetracos-15-enoyloxy]propoxyphosphinic acid
GPEtn(24:1/18:2)
GPEtn(42:3)
PE(24:1/18:2)
PE(42:3)
Phophatidylethanolamine(24:1/18:2)
Phophatidylethanolamine(42:3)

hmdb:HMDB09753
seedM:M_cpd25231 		secondary/obsolete/fantasy identifier