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

PropertiesImage
MNX_IDMNXM210594 Image of MNXM210594
referenceslm:000008692
formulaC50H88NO8P
global charge0
mol weight862.227
InChIKeyFOYWVRFPAYTFGX-UEQKJMKUSA-N
InChIInChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-34-15-13-11-9-7-2/h8,10,14,16,18-19,21-22,24-25,27-28,48H,6-7,9,11-13,15,17,20,23,26,29-47H2,1-5H3/b10-8-,16-14-,19-18-,22-21-,25-24-,28-27-/t48-/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)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C50H88NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-34-15-13-11-9-7-2/h8,10,14,16,18-19,21-22,24-25,27-28,48H,6-7,9,11-13,15,17,20,23,26,29-47H2,1-5H3/b10-8-,16-14-,19-18-,22-21-,25-24-,28-27-/t48-/m1/s1 Image of MNXM210594
SMILES (mnx)[CH3:1][CH2:6]/[CH:8]=[CH: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]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][C:49](=[O:52])[O:56][CH2:46][C@H:48]([CH2:47][O:58][P:60](=[O:54])([O-:55])[O:57][CH2:45][CH2:44][N+:51]([CH3:3])([CH3:4])[CH3:5])[O:59][C:50]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:34][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:53]
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:000008692
slm:000008692
FOYWVRFPAYTFGX-UEQKJMKUSA-N
1-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-2-dodecanoyl-sn-glycero-3-phosphocholine
PC(30:6(12Z,15Z,18Z,21Z,24Z,27Z)/12:0)
Phosphatidylcholine (30:6(12Z,15Z,18Z,21Z,24Z,27Z)/12:0)