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1-(9Z,12Z,15Z-octadecatrienoyl)-2-(11Z,14Z,17Z,20Z,23Z-hexacosapentaenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM318788 Image of MNXM318788
referenceslm:000011953
formulaC52H88NO8P
global charge0
mol weight886.249
InChIKeyKBJHBQHQRPBMDL-PWLZPOJGSA-N
InChIInChI=1S/C52H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-25,27-28,30,50H,6-7,12-13,18-19,23,26,29,31-49H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,28-27-,30-21-/t50-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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/C52H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-25,27-28,30,50H,6-7,12-13,18-19,23,26,29,31-49H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,28-27-,30-21-/t50-/m1/s1 Image of MNXM318788
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][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:52](=[O:55])[O:61][C@H:50]([CH2:48][O:58][C:51]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32]/[CH:30]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH3:2])=[O:54])[CH2:49][O:60][P:62](=[O:56])([O-:57])[O:59][CH2:47][CH2:46][N+:53]([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:000011953
slm:000011953
KBJHBQHQRPBMDL-PWLZPOJGSA-N
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(11Z,14Z,17Z,20Z,23Z-hexacosapentaenoyl)-sn-glycero-3-phosphocholine
PC(18:3(9Z,12Z,15Z)/26:5(11Z,14Z,17Z,20Z,23Z))
Phosphatidylcholine (18:3(9Z,12Z,15Z)/26:5(11Z,14Z,17Z,20Z,23Z))