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1-(13Z-docosenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM70423 Image of MNXM70423
referenceslm:000009114
formulaC48H92NO8P
global charge0
mol weight842.237
InChIKeyVMYYPARBVHMEFG-WQZYGQBESA-N
InChIInChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h17,19-20,22,46H,6-16,18,21,23-45H2,1-5H3/b19-17-,22-20-/t46-/m1/s1
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h17,19-20,22,46H,6-16,18,21,23-45H2,1-5H3/b19-17-,22-20-/t46-/m1/s1 Image of MNXM70423
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18]/[CH:20]=[CH:22]\[CH2:23][CH2:24][CH2:25][CH2:27][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][CH2:26][CH2:21]/[CH:19]=[CH:17]\[CH2:15][CH2:13][CH2:11][CH2:9][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

SLM:000009114
slm:000009114
VMYYPARBVHMEFG-WQZYGQBESA-N
1-(13Z-docosenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine
PC(22:1(13Z)/18:1(11Z))
Phosphatidylcholine (22:1(13Z)/18:1(11Z))
hmdb:HMDB0011202
VMYYPARBVHMEFG-WQZYGQBESA-N
PC(22:1(13Z)/18:1(11Z))
(2-{[(2R)-3-[(13Z)-docos-13-enoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-(13Z-Docosenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine
1-Erucoyl-2-vaccenoyl-sn-glycero-3-phosphocholine
Gpcho(22:1/18:1)
Gpcho(22:1W9/18:1W7)
Gpcho(22:1n9/18:1n7)
Gpcho(40:2)
Lecithin
PC Aa C40:2
PC(22:1/18:1)
PC(22:1W9/18:1W7)
PC(22:1n9/18:1n7)
PC(40:2)
Phosphatidylcholine(22:1/18:1)
Phosphatidylcholine(22:1W9/18:1W7)
Phosphatidylcholine(22:1n9/18:1n7)
Phosphatidylcholine(40:2)

lipidmaps:LMGP01012220
lipidmapsM:LMGP01012220
VMYYPARBVHMEFG-WQZYGQBESA-N
PC(22:1(13Z)/18:1(11Z))
1-(13Z-docosenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine
PC 40:2
PC(18:1_22:1)
PC(40:2)

hmdb:HMDB11202
secondary/obsolete/fantasy identifier