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1-dodecanoyl-2-(11Z,14Z,17Z,20Z-hexacosatetraenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM349701 Image of MNXM349701
referenceslm:000012819
formulaC46H84NO8P
global charge0
mol weight810.151
InChIKeyBYOJSFKYWZJKAL-DIAOMXOHSA-N
InChIInChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-15-13-11-9-7-2/h14,16,18-19,21-22,24-25,44H,6-13,15,17,20,23,26-43H2,1-5H3/b16-14-,19-18-,22-21-,25-24-/t44-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C46H84NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-15-13-11-9-7-2/h14,16,18-19,21-22,24-25,44H,6-13,15,17,20,23,26-43H2,1-5H3/b16-14-,19-18-,22-21-,25-24-/t44-/m1/s1 Image of MNXM349701
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:46](=[O:49])[O:55][C@H:44]([CH2:42][O:52][C:45]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:48])[CH2:43][O:54][P:56](=[O:50])([O-:51])[O:53][CH2:41][CH2:40][N+:47]([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:000012819
slm:000012819
BYOJSFKYWZJKAL-DIAOMXOHSA-N
1-dodecanoyl-2-(11Z,14Z,17Z,20Z-hexacosatetraenoyl)-sn-glycero-3-phosphocholine
PC(12:0/26:4(11Z,14Z,17Z,20Z))
Phosphatidylcholine (12:0/26:4(11Z,14Z,17Z,20Z))