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1-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM210510 Image of MNXM210510
referenceslm:000008686
formulaC56H98NO8P
global charge0
mol weight944.373
InChIKeyWRODXQQJZXJFFM-YXODFFDQSA-N
InChIInChI=1S/C56H98NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-55(58)62-52-54(53-64-66(60,61)63-51-50-57(3,4)5)65-56(59)49-47-45-43-41-39-37-34-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-25,27-28,30-31,34,54H,6-7,9,11-13,15,17-19,23,26,29,32-33,35-53H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,28-27-,31-30-,34-21-/t54-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C56H98NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-55(58)62-52-54(53-64-66(60,61)63-51-50-57(3,4)5)65-56(59)49-47-45-43-41-39-37-34-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-25,27-28,30-31,34,54H,6-7,9,11-13,15,17-19,23,26,29,32-33,35-53H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,28-27-,31-30-,34-21-/t54-/m1/s1 Image of MNXM210510
SMILES (mnx)[CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32][CH2:33][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:55](=[O:58])[O:62][CH2:52][C@H:54]([CH2:53][O:64][P:66](=[O:60])([O-:61])[O:63][CH2:51][CH2:50][N+:57]([CH3:3])([CH3:4])[CH3:5])[O:65][C:56]([CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37]/[CH:34]=[CH:21]\[CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:59]
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:000008686
slm:000008686
WRODXQQJZXJFFM-YXODFFDQSA-N
1-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
PC(30:6(12Z,15Z,18Z,21Z,24Z,27Z)/18:1(9Z))
Phosphatidylcholine (30:6(12Z,15Z,18Z,21Z,24Z,27Z)/18:1(9Z))