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1-tetracosanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM32637 Image of MNXM32637
referenceslm:000036313
formulaC47H88NO8P
global charge0
mol weight826.194
InChIKeyDRPHJUQOHGTYDX-STJFKRLNSA-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/h6,8,12,14,18,25,45H,3-5,7,9-11,13,15-17,19-24,26-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,25-18-/t45-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)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/h6,8,12,14,18,25,45H,3-5,7,9-11,13,15-17,19-24,26-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,25-18-/t45-/m1/s1 Image of MNXM32637
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][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]/[CH:8]=[CH: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:000036313
slm:000036313
DRPHJUQOHGTYDX-STJFKRLNSA-N 		1-tetracosanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine
PE(24:0/18:3(9Z,12Z,15Z))
Phosphatidylethanolamine (24:0/18:3(9Z,12Z,15Z))

metacyc.compound:CPD-8393
metacycM:CPD-8393
seed.compound:cpd25230
seedM:cpd25230
DRPHJUQOHGTYDX-STJFKRLNSA-N 		1-24:0-2-18:3-phosphatidylethanolamine
1-tetracosanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine
24:0-18:3-PE
phosphatidylethanolamine (1-24:0-2-18:3)
hmdb:HMDB0009722
DRPHJUQOHGTYDX-STJFKRLNSA-N 		PE(24:0/18:3(9Z,12Z,15Z))
(2-aminoethoxy)[(2R)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-(tetracosanoyloxy)propoxy]phosphinic acid
1-lignoceroyl-2-a-linolenoyl-sn-glycero-3-phosphoethanolamine
1-tetracosanoyl-2-(9Z,12Z,15Z-octadeatrienoyl)-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-(tetracosanoyloxy)propoxyphosphinic acid
GPEtn(24:0/18:3)
GPEtn(42:3)
PE(24:0/18:3)
PE(42:3)
Phophatidylethanolamine(24:0/18:3)
Phophatidylethanolamine(42:3)

hmdb:HMDB09722
seedM:M_cpd25230 		secondary/obsolete/fantasy identifier