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1-(9Z-tetradecenoyl)-2-octacosanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM338197 Image of MNXM338197
referenceslm:000012410
formulaC50H98NO8P
global charge0
mol weight872.307
InChIKeyANFDUMGBUYRUGT-PZPDSNGWSA-N
InChIInChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-17-15-13-11-9-7-2/h13,15,48H,6-12,14,16-47H2,1-5H3/b15-13-/t48-/m1/s1
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C50H98NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-17-15-13-11-9-7-2/h13,15,48H,6-12,14,16-47H2,1-5H3/b15-13-/t48-/m1/s1 Image of MNXM338197
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:50](=[O:53])[O:59][C@H:48]([CH2:46][O:56][C:49]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:17]/[CH:15]=[CH:13]\[CH2:11][CH2:9][CH2:7][CH3:2])=[O:52])[CH2:47][O:58][P:60](=[O:54])([O-:55])[O:57][CH2:45][CH2:44][N+:51]([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:000012410
slm:000012410
ANFDUMGBUYRUGT-PZPDSNGWSA-N
1-(9Z-tetradecenoyl)-2-octacosanoyl-sn-glycero-3-phosphocholine
PC(14:1(9Z)/28:0)
Phosphatidylcholine (14:1(9Z)/28:0)