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22:0-18:3-PE

PropertiesImage
MNX_IDMNXM32628 Image of MNXM32628
referencechebi:191343
formulaC45H84NO8P
global charge0
mol weight798.14
InChIKeyYPNBTCGXMZRYQA-VFTHXXHWSA-N
InChIInChI=1S/C45H84NO8P/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/h6,8,12,14,18,23,43H,3-5,7,9-11,13,15-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,23-18-/t43-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+]
MNX internals
InChI (mnx)InChI=1/C45H84NO8P/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/h6,8,12,14,18,23,43H,3-5,7,9-11,13,15-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,23-18-/t43-/m1/s1 Image of MNXM32628
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]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:48]
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:191343
chebi:191343
YPNBTCGXMZRYQA-VFTHXXHWSA-N 		22:0-18:3-PE
2-azaniumylethyl [(2R)-3-docosanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] phosphate

metacyc.compound:CPD-8391
metacycM:CPD-8391
seed.compound:cpd25228
seedM:cpd25228
YPNBTCGXMZRYQA-VFTHXXHWSA-N 		1-22:0-2-18:3-phosphatidylethanolamine
1-docosanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine
22:0-18:3-PE
phosphatidylethanolamine (1-22:0-2-18:3)

SLM:000035211
slm:000035211
YPNBTCGXMZRYQA-VFTHXXHWSA-N 		1-docosanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine
PE(22:0/18:3(9Z,12Z,15Z))
Phosphatidylethanolamine (22:0/18:3(9Z,12Z,15Z))
hmdb:HMDB0009491
YPNBTCGXMZRYQA-VFTHXXHWSA-N 		PE(22:0/18:3(9Z,12Z,15Z))
(2-aminoethoxy)[(2R)-3-(docosanoyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]phosphinic acid
1-Behenoyl-2-a-linolenoyl-sn-glycero-3-phosphoethanolamine
1-Docosanoyl-2-(9Z,12Z,15Z-octadeatrienoyl)-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-(docosanoyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxyphosphinic acid
GPEtn(22:0/18:3)
GPEtn(40:3)
PE(22:0/18:3)
PE(40:3)
Phophatidylethanolamine(22:0/18:3)
Phophatidylethanolamine(40:3)

lipidmaps:LMGP02011026
lipidmapsM:LMGP02011026
YPNBTCGXMZRYQA-VFTHXXHWSA-N 		PE(22:0/18:3(9Z,12Z,15Z))
1-docosanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-glycero-3-phosphoethanolamine
PE 40:3
PE(18:3_22:0)
PE(40:3)

hmdb:HMDB09491
seedM:M_cpd25228 		secondary/obsolete/fantasy identifier