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1-(9Z,12Z,15Z-octadecatrienoyl)-2-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM319581 Image of MNXM319581
referenceslm:000011978
formulaC62H108NO8P
global charge0
mol weight1026.519
InChIKeyIKTOTJHJMIYKJT-LLTWDOAYSA-N
InChIInChI=1S/C62H108NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-55-62(65)71-60(59-70-72(66,67)69-57-56-63(3,4)5)58-68-61(64)54-52-50-48-46-44-42-40-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-25,27-28,40,60H,6-7,12-13,18-19,23,26,29-39,41-59H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,28-27-,40-21-/t60-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C62H108NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-55-62(65)71-60(59-70-72(66,67)69-57-56-63(3,4)5)58-68-61(64)54-52-50-48-46-44-42-40-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-25,27-28,40,60H,6-7,12-13,18-19,23,26,29-39,41-59H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,28-27-,40-21-/t60-/m1/s1 Image of MNXM319581
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][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][C:62](=[O:65])[O:71][C@H:60]([CH2:58][O:68][C:61]([CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42]/[CH:40]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH3:2])=[O:64])[CH2:59][O:70][P:72](=[O:66])([O-:67])[O:69][CH2:57][CH2:56][N+:63]([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:000011978
slm:000011978
IKTOTJHJMIYKJT-LLTWDOAYSA-N
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-sn-glycero-3-phosphocholine
PC(18:3(9Z,12Z,15Z)/36:5(21Z,24Z,27Z,30Z,33Z))
Phosphatidylcholine (18:3(9Z,12Z,15Z)/36:5(21Z,24Z,27Z,30Z,33Z))