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PC(o-22:0/18:3(9Z,12Z,15Z))

PropertiesImage
MNX_IDMNXM70962 Image of MNXM70962
referencechebi:89855
formulaC48H92NO7P
global charge0
mol weight826.238
InChIKeyCPEAXNSICHTTDR-BKMBJBKQSA-N
InChIInChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,27,47H,6-8,10,12-14,16,18-20,22-26,28-46H2,1-5H3/b11-9-,17-15-,27-21-/t47-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,27,47H,6-8,10,12-14,16,18-20,22-26,28-46H2,1-5H3/b11-9-,17-15-,27-21-/t47-/m1/s1 Image of MNXM70962
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:43][O:53][CH2:45][C@H:47]([CH2:46][O:55][P:57](=[O:51])([O-:52])[O:54][CH2:44][CH2:42][N+:49]([CH3:3])([CH3:4])[CH3:5])[O:56][C:48]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29]/[CH:27]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH3:2])=[O:50]
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:89855
chebi:89855
CPEAXNSICHTTDR-BKMBJBKQSA-N 		PC(o-22:0/18:3(9Z,12Z,15Z))
(2-{[(2R)-3-(docosyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-Behenyl-2-a-linolenoyl-sn-glycero-3-phosphocholine
1-Behenyl-2-alpha-linolenoyl-sn-glycero-3-phosphocholine
GPCho(22:0/18:3)
GPCho(22:0/18:3n3)
GPCho(22:0/18:3w3)
GPCho(40:3)
Lecithin
PC ae C40:3
PC(22:0/18:3)
PC(22:0/18:3n3)
PC(22:0/18:3w3)
PC(40:3)
PC(O-40:3)
Phosphatidylcholine(22:0/18:3)
Phosphatidylcholine(22:0/18:3n3)
Phosphatidylcholine(22:0/18:3w3)
Phosphatidylcholine(40:3)

SLM:000027919
slm:000027919
CPEAXNSICHTTDR-BKMBJBKQSA-N 		1-O-docosyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine
1-docosyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine
PC(O-22:0/18:3(9Z,12Z,15Z))
Phosphatidylcholine (O-22:0/18:3(9Z,12Z,15Z))
hmdb:HMDB0013446
CPEAXNSICHTTDR-BKMBJBKQSA-N 		PC(O-22:0/18:3(9Z,12Z,15Z))
(2-{[(2R)-3-(docosyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-Behenyl-2-a-linolenoyl-sn-glycero-3-phosphocholine
1-Behenyl-2-alpha-linolenoyl-sn-glycero-3-phosphocholine
1-docosanyl-2-(9Z,12Z,15Z-octadeatrienoyl)-sn-glycero-3-phosphocholine
GPCho(22:0/18:3)
GPCho(40:3)
Lecithin
PC Ae C40:3
PC(22:0/18:3)
PC(22:0/18:3W3)
PC(22:0/18:3n3)
PC(40:3)
PC(O-40:3)
PC(o-22:0/18:3(9Z,12Z,15Z))
Phosphatidylcholine(22:0/18:3)
Phosphatidylcholine(22:0/18:3W3)
Phosphatidylcholine(22:0/18:3n3)
Phosphatidylcholine(40:3)
gpcho(22:0/18:3W3)
gpcho(22:0/18:3n3)

lipidmaps:LMGP01020249
lipidmapsM:LMGP01020249
CPEAXNSICHTTDR-BKMBJBKQSA-N 		PC(O-22:0/18:3(9Z,12Z,15Z))
1-docosyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine
PC O-40:3
PC(O-22:0/18:3)
PC(O-40:3)

hmdb:HMDB13446 		secondary/obsolete/fantasy identifier