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PC(18:0/P-18:0)

PropertiesImage
MNX_IDMNXM69592 Image of MNXM69592
referencehmdb:HMDB0008061
formulaC44H88NO7P
global charge0
mol weight774.162
InChIKeyLQGHAKFUDWIULA-HYLXNHFUSA-N
InChIInChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36,39,43H,6-35,37-38,40-42H2,1-5H3/b39-36-
SMILESCCCCCCCCCCCCCCCC/C=C\OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36,39,43H,6-35,37-38,40-42H2,1-5H3/b39-36-/t43? Image of MNXM69592
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]/[CH:36]=[CH:39]\[O:49][CH:43]([CH2:41][O:50][C:44]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:46])[CH2:42][O:52][P:53](=[O:47])([O-:48])[O:51][CH2:40][CH2:38][N+:45]([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
hmdb:HMDB0008061
LQGHAKFUDWIULA-HYLXNHFUSA-N
PC(18:0/P-18:0)
1-Octadecanoyl-2-(1Z-octadecenyl)-sn-glycero-3-phosphocholine
Glycerophosphocholine
Glycerophosphocholine(18:0/p-18:0)
Gpcho(18:0)
Gpcho(18:0/p-18:0)
PC(18:0)
Phosphatidylcholine(18:0)
Phosphatidylcholine(18:0/p-18:0)
lecithin
trimethyl[2-({2-[(1Z)-octadec-1-en-1-yloxy]-3-(octadecanoyloxy)propyl phosphonato}oxy)ethyl]azanium

hmdb:HMDB08061
secondary/obsolete/fantasy identifier