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1-acetyl-2-(18Z,21Z,24Z,27Z,30Z,33Z-hexatriacontahexaenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM342526 Image of MNXM342526
referenceslm:000012524
formulaC46H80NO8P
global charge0
mol weight806.119
InChIKeyDNJHWPJDDZXWDY-KGWRYTSGSA-N
InChIInChI=1S/C46H80NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-46(49)55-45(42-52-44(2)48)43-54-56(50,51)53-41-40-47(3,4)5/h7-8,10-11,13-14,16-17,19-20,22-23,45H,6,9,12,15,18,21,24-43H2,1-5H3/b8-7-,11-10-,14-13-,17-16-,20-19-,23-22-/t45-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C46H80NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-46(49)55-45(42-52-44(2)48)43-54-56(50,51)53-41-40-47(3,4)5/h7-8,10-11,13-14,16-17,19-20,22-23,45H,6,9,12,15,18,21,24-43H2,1-5H3/b8-7-,11-10-,14-13-,17-16-,20-19-,23-22-/t45-/m1/s1 Image of MNXM342526
SMILES (mnx)[CH3:1][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][C:46](=[O:49])[O:55][C@H:45]([CH2:42][O:52][C:44]([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:000012524
slm:000012524
DNJHWPJDDZXWDY-KGWRYTSGSA-N
1-acetyl-2-(18Z,21Z,24Z,27Z,30Z,33Z-hexatriacontahexaenoyl)-sn-glycero-3-phosphocholine
PC(2:0/36:6(18Z,21Z,24Z,27Z,30Z,33Z))
Phosphatidylcholine (2:0/36:6(18Z,21Z,24Z,27Z,30Z,33Z))