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1-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-2-(8Z,11Z,14Z,17Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM210384 Image of MNXM210384
referenceslm:000008677
formulaC58H96NO8P
global charge0
mol weight966.379
InChIKeyHBOWBVPWCFRVKN-YMCQNNSZSA-N
InChIInChI=1S/C58H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-50-57(60)64-54-56(55-66-68(62,63)65-53-52-59(3,4)5)67-58(61)51-49-47-45-43-41-39-37-34-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25-26,28-29,31-32,37,39,56H,6-7,12-13,18-19,24,27,30,33-36,38,40-55H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,26-25-,29-28-,32-31-,39-37-/t56-/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)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C58H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-50-57(60)64-54-56(55-66-68(62,63)65-53-52-59(3,4)5)67-58(61)51-49-47-45-43-41-39-37-34-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25-26,28-29,31-32,37,39,56H,6-7,12-13,18-19,24,27,30,33-36,38,40-55H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,26-25-,29-28-,32-31-,39-37-/t56-/m1/s1 Image of MNXM210384
SMILES (mnx)[CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][C:57](=[O:60])[O:64][CH2:54][C@H:56]([CH2:55][O:66][P:68](=[O:62])([O-:63])[O:65][CH2:53][CH2:52][N+:59]([CH3:3])([CH3:4])[CH3:5])[O:67][C:58]([CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41]/[CH:39]=[CH:37]\[CH2:34]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH3:2])=[O:61]
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:000008677
slm:000008677
HBOWBVPWCFRVKN-YMCQNNSZSA-N
1-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-2-(8Z,11Z,14Z,17Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine
PC(30:6(12Z,15Z,18Z,21Z,24Z,27Z)/20:4(8Z,11Z,14Z,17Z))
Phosphatidylcholine (30:6(12Z,15Z,18Z,21Z,24Z,27Z)/20:4(8Z,11Z,14Z,17Z))