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1-(9Z,12Z,15Z-octadecatrienoyl)-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM69826 Image of MNXM69826
referenceslm:000011964
formulaC48H86NO8P
global charge0
mol weight836.189
InChIKeyYMTXWKKZUPUPPG-KCLVDFFQSA-N
InChIInChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,26,46H,6-8,10,12-13,18-19,23-25,27-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,26-21-/t46-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,26,46H,6-8,10,12-13,18-19,23-25,27-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,26-21-/t46-/m1/s1 Image of MNXM69826
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:23][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:48](=[O:51])[O:57][C@H:46]([CH2:44][O:54][C:47]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28]/[CH:26]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH3:2])=[O:50])[CH2:45][O:56][P:58](=[O:52])([O-:53])[O:55][CH2:43][CH2:42][N+:49]([CH3:3])([CH3:4])[CH3:5]
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

SLM:000011964
slm:000011964
YMTXWKKZUPUPPG-KCLVDFFQSA-N 		1-(9Z,12Z,15Z-octadecatrienoyl)-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphocholine
PC(18:3(9Z,12Z,15Z)/22:2(13Z,16Z))
Phosphatidylcholine (18:3(9Z,12Z,15Z)/22:2(13Z,16Z))
hmdb:HMDB0008218
YMTXWKKZUPUPPG-KCLVDFFQSA-N 		PC(18:3(9Z,12Z,15Z)/22:2(13Z,16Z))
(2-{[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-(9Z,12Z,15Z-Octadeatrienoyl)-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphocholine
1-a-Linolenoyl-2-docosadienoyl-sn-glycero-3-phosphocholine
GPCho(18:3/22:2)
GPCho(40:5)
Lecithin
PC(18:3/22:2)
PC(40:5)
Phosphatidylcholine(18:3/22:2)
Phosphatidylcholine(40:5)
lecithin

lipidmaps:LMGP01011697
lipidmapsM:LMGP01011697
YMTXWKKZUPUPPG-KCLVDFFQSA-N 		PC(18:3(9Z,12Z,15Z)/22:2(13Z,16Z))
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphocholine
PC 40:5
PC(18:3_22:2)
PC(40:5)

hmdb:HMDB08218 		secondary/obsolete/fantasy identifier