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1-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM210188 Image of MNXM210188
referenceslm:000008663
formulaC60H96NO8P
global charge0
mol weight990.401
InChIKeyAIXBRQPLSSFMQB-QONBVEERSA-N
InChIInChI=1S/C60H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-50-52-59(62)66-56-58(57-68-70(64,65)67-55-54-61(3,4)5)69-60(63)53-51-49-47-45-43-41-39-37-34-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-27,29-30,32-34,37,41,43,47,49,58H,6-7,12-13,18-19,24-25,28,31,35-36,38-40,42,44-46,48,50-57H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-26-,30-29-,33-32-,37-34-,43-41-,49-47-/t58-/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)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C60H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-50-52-59(62)66-56-58(57-68-70(64,65)67-55-54-61(3,4)5)69-60(63)53-51-49-47-45-43-41-39-37-34-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-27,29-30,32-34,37,41,43,47,49,58H,6-7,12-13,18-19,24-25,28,31,35-36,38-40,42,44-46,48,50-57H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-26-,30-29-,33-32-,37-34-,43-41-,49-47-/t58-/m1/s1 Image of MNXM210188
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:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31]/[CH:32]=[CH:33]\[CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:59](=[O:62])[O:66][CH2:56][C@H:58]([CH2:57][O:68][P:70](=[O:64])([O-:65])[O:67][CH2:55][CH2:54][N+:61]([CH3:3])([CH3:4])[CH3:5])[O:69][C:60]([CH2:53][CH2:51]/[CH:49]=[CH:47]\[CH2:45]/[CH:43]=[CH:41]\[CH2:39]/[CH:37]=[CH:34]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH3:2])=[O:63]
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:000008663
slm:000008663
AIXBRQPLSSFMQB-QONBVEERSA-N
1-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
PC(30:6(12Z,15Z,18Z,21Z,24Z,27Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Phosphatidylcholine (30:6(12Z,15Z,18Z,21Z,24Z,27Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))