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22:0-18:2-PE

PropertiesImage
MNX_IDMNXM32625 Image of MNXM32625
referencechebi:191344
formulaC45H86NO8P
global charge0
mol weight800.156
InChIKeyUKSDTIJAYBAFLE-JGIACTMPSA-N
InChIInChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,43H,3-11,13,15-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b14-12-,23-18-/t43-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+]
MNX internals
InChI (mnx)InChI=1/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,43H,3-11,13,15-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b14-12-,23-18-/t43-/m1/s1 Image of MNXM32625
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][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:44](=[O:47])[O:51][CH2:41][C@H:43]([CH2:42][O:53][P:55]([OH:49])(=[O:50])[O:52][CH2:40][CH2:39][NH2:46])[O:54][C:45]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26]/[CH:23]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:48]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:191344
chebi:191344
UKSDTIJAYBAFLE-JGIACTMPSA-N 		22:0-18:2-PE
2-azaniumylethyl [(2R)-3-docosanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] phosphate

metacyc.compound:CPD-8390
metacycM:CPD-8390
seed.compound:cpd25227
seedM:cpd25227
UKSDTIJAYBAFLE-JGIACTMPSA-N 		1-22:0-2-18:2-phosphatidylethanolamine
1-docosanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
22:0-18:2-PE
phosphatidylethanolamine (1-22:0-2-18:2)

SLM:000035213
slm:000035213
UKSDTIJAYBAFLE-JGIACTMPSA-N 		1-docosanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
PE(22:0/18:2(9Z,12Z))
Phosphatidylethanolamine (22:0/18:2(9Z,12Z))
hmdb:HMDB0009489
UKSDTIJAYBAFLE-JGIACTMPSA-N 		PE(22:0/18:2(9Z,12Z))
(2-aminoethoxy)[(2R)-3-(docosanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid
1-Behenoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine
1-Docosanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-(docosanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphinic acid
GPEtn(22:0/18:2)
GPEtn(40:2)
PE(22:0/18:2)
PE(40:2)
Phophatidylethanolamine(22:0/18:2)
Phophatidylethanolamine(40:2)

lipidmaps:LMGP02011024
lipidmapsM:LMGP02011024
UKSDTIJAYBAFLE-JGIACTMPSA-N 		PE(22:0/18:2(9Z,12Z))
1-docosanoyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphoethanolamine
PE 40:2
PE(18:2_22:0)
PE(40:2)

hmdb:HMDB09489
seedM:M_cpd25227 		secondary/obsolete/fantasy identifier