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PC(22:1(13Z)/18:2(9Z,12Z))

PropertiesImage
MNX_IDMNXM70425 Image of MNXM70425
referencechebi:88736
formulaC48H90NO8P
global charge0
mol weight840.221
InChIKeyQITWVLBMWWSFPO-PUXNAPJVSA-N
InChIInChI=1S/C48H90NO8P/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/h15,17,20-22,26,46H,6-14,16,18-19,23-25,27-45H2,1-5H3/b17-15-,22-20-,26-21-/t46-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(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/h15,17,20-22,26,46H,6-14,16,18-19,23-25,27-45H2,1-5H3/b17-15-,22-20-,26-21-/t46-/m1/s1 Image of MNXM70425
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]/[CH:26]=[CH:21]\[CH2:19]/[CH:17]=[CH: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

CHEBI:88736
chebi:88736
QITWVLBMWWSFPO-PUXNAPJVSA-N 		PC(22:1(13Z)/18:2(9Z,12Z))
(2-{[(2R)-3-[(13Z)-docos-13-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-Erucoyl-2-linoleoyl-sn-glycero-3-phosphocholine
GPCho(22:1/18:2)
GPCho(22:1n9/18:2n6)
GPCho(22:1w9/18:2w6)
GPCho(40:3)
Lecithin
PC aa C40:3
PC(22:1/18:2)
PC(22:1n9/18:2n6)
PC(22:1w9/18:2w6)
PC(40:3)
Phosphatidylcholine(22:1/18:2)
Phosphatidylcholine(22:1n9/18:2n6)
Phosphatidylcholine(22:1w9/18:2w6)
Phosphatidylcholine(40:3)

SLM:000009158
slm:000009158
QITWVLBMWWSFPO-PUXNAPJVSA-N 		1-(13Z-docosenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine
PC(22:1(13Z)/18:2(9Z,12Z))
Phosphatidylcholine (22:1(13Z)/18:2(9Z,12Z))
hmdb:HMDB0008565
QITWVLBMWWSFPO-PUXNAPJVSA-N 		PC(22:1(13Z)/18:2(9Z,12Z))
(2-{[(2R)-3-[(13Z)-docos-13-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-(13Z-Docosenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine
1-Erucoyl-2-linoleoyl-sn-glycero-3-phosphocholine
GPCho(22:1/18:2)
GPCho(40:3)
Lecithin
PC(22:1/18:2)
PC(40:3)
Phosphatidylcholine(22:1/18:2)
Phosphatidylcholine(40:3)
lecithin

lipidmaps:LMGP01012222
lipidmapsM:LMGP01012222
QITWVLBMWWSFPO-PUXNAPJVSA-N 		PC(22:1(13Z)/18:2(9Z,12Z))
1-(13Z-docosenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine
PC 40:3
PC(18:2_22:1)
PC(40:3)

hmdb:HMDB08565 		secondary/obsolete/fantasy identifier