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1,2-di-(16Z,19Z,22Z,25Z,28Z,31Z-tetratriacontahexaenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM175198 Image of MNXM175198
referenceslm:000012442
formulaC76H128NO8P
global charge0
mol weight1214.833
InChIKeyQVNPPBZXISBWNI-KTYOQAFNSA-N
InChIInChI=1S/C76H128NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54-56-58-60-62-64-66-68-75(78)82-72-74(73-84-86(80,81)83-71-70-77(3,4)5)85-76(79)69-67-65-63-61-59-57-55-53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-35,38-41,74H,6-7,12-13,18-19,24-25,30-31,36-37,42-73H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-,41-39-/t74-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C76H128NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54-56-58-60-62-64-66-68-75(78)82-72-74(73-84-86(80,81)83-71-70-77(3,4)5)85-76(79)69-67-65-63-61-59-57-55-53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-35,38-41,74H,6-7,12-13,18-19,24-25,30-31,36-37,42-73H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-,41-39-/t74-/m1/s1 Image of MNXM175198
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:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36]/[CH:38]=[CH:40]\[CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][CH2:60][CH2:62][CH2:64][CH2:66][CH2:68][C:75](=[O:78])[O:82][CH2:72][C@H:74]([CH2:73][O:84][P:86](=[O:80])([O-:81])[O:83][CH2:71][CH2:70][N+:77]([CH3:3])([CH3:4])[CH3:5])[O:85][C:76]([CH2:69][CH2:67][CH2:65][CH2:63][CH2:61][CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43]/[CH:41]=[CH:39]\[CH2:37]/[CH:35]=[CH:33]\[CH2:31]/[CH:29]=[CH:27]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH3:2])=[O:79]
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:000012442
slm:000012442
QVNPPBZXISBWNI-KTYOQAFNSA-N
1,2-di-(16Z,19Z,22Z,25Z,28Z,31Z-tetratriacontahexaenoyl)-sn-glycero-3-phosphocholine
PC(34:6(16Z,19Z,22Z,25Z,28Z,31Z)/34:6(16Z,19Z,22Z,25Z,28Z,31Z))
Phosphatidylcholine (34:6(16Z,19Z,22Z,25Z,28Z,31Z)/34:6(16Z,19Z,22Z,25Z,28Z,31Z))