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1-eicosanoyl-2-[(11Z,14Z,17Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM69985 Image of MNXM69985
referencechebi:86416
formulaC48H90NO8P
global charge0
mol weight840.221
InChIKeyREABNEVSLLNWCN-NEUZZYPFSA-N
InChIInChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,46H,6-8,10,12-14,16,18-20,22,24-45H2,1-5H3/b11-9-,17-15-,23-21-/t46-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,46H,6-8,10,12-14,16,18-20,22,24-45H2,1-5H3/b11-9-,17-15-,23-21-/t46-/m1/s1 Image of MNXM69985
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:47](=[O:50])[O:54][CH2:44][C@H:46]([CH2:45][O:56][P:58](=[O:52])([O-:53])[O:55][CH2:43][CH2:42][N+:49]([CH3:3])([CH3:4])[CH3:5])[O:57][C:48]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH3:2])=[O:51]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:86416
chebi:86416
REABNEVSLLNWCN-NEUZZYPFSA-N 		1-eicosanoyl-2-[(11Z,14Z,17Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
(2R)-3-(icosanoyloxy)-2-{[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
PC(20:0/20:3(11Z,14Z,17Z))

SLM:000012898
slm:000012898
REABNEVSLLNWCN-NEUZZYPFSA-N 		1-eicosanoyl-2-(11Z,14Z,17Z-eicoastrienoyl)-sn-glycero-3-phosphocholine
PC(20:0/20:3(11Z,14Z,17Z))
Phosphatidylcholine (20:0/20:3(11Z,14Z,17Z))
hmdb:HMDB0304643
REABNEVSLLNWCN-NEUZZYPFSA-N 		Alphitolic acid
(2-{[(2R)-2-[(11Z,14Z,17Z)-icosa-11,14,17-trienoyloxy]-3-(icosanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium
PC(20:0/20:3(11Z,14Z,17Z))

lipidmaps:LMGP01011022
lipidmapsM:LMGP01011022
REABNEVSLLNWCN-NEUZZYPFSA-N 		PC(20:0/20:3(11Z,14Z,17Z))
1-eicosanoyl-2-(11Z,14Z,17Z-eicosatrienoyl)-sn-glycero-3-phosphocholine
PC 40:3
PC(20:0/20:3)
PC(20:0_20:3)
PC(40:3)