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1-O-(11Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1040297 Image of MNXM1040297
referenceslm:000732686
formulaC59H103NO8P
global charge-1
mol weight985.446
InChIKeyIXVNWANRDPHCKL-JYHPQGRLSA-M
InChIInChI=1S/C59H104NO8P/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-59(62)68-57(55-65-53-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2)56-67-69(63,64)66-54-52-60-58(61)50-47-44-41-38-35-21-18-15-12-9-6-3/h7,10,16,19-20,23-24,26,29-30,33,36,42,45,57H,4-6,8-9,11-15,17-18,21-22,25,27-28,31-32,34-35,37-41,43-44,46-56H2,1-3H3,(H,60,61)(H,63,64)/p-1/b10-7-,19-16-,23-20-,26-24-,30-29-,36-33-,45-42-/t57-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COCCCCCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C59H104NO8P/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-59(62)68-57(55-65-53-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2)56-67-69(63,64)66-54-52-60-58(61)50-47-44-41-38-35-21-18-15-12-9-6-3/h7,10,16,19-20,23-24,26,29-30,33,36,42,45,57H,4-6,8-9,11-15,17-18,21-22,25,27-28,31-32,34-35,37-41,43-44,46-56H2,1-3H3,(H,60,61)(H,63,64)/b10-7-,19-16-,23-20-,26-24-,30-29-,36-33-,45-42-/t57-/m1/s1 Image of MNXM1040297
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31]/[CH:33]=[CH:36]\[CH2:39]/[CH:42]=[CH:45]\[CH2:48][CH2:51][C:59](=[O:62])[O:68][C@H:57]([CH2:55][O:65][CH2:53][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:32][CH2:27][CH2:25]/[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:56][O:67][P:69]([OH:63])(=[O:64])[O:66][CH2:54][CH2:52][N:60]=[C:58]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH: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:000732686
slm:000732686
IXVNWANRDPHCKL-JYHPQGRLSA-M
1-O-(11Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine
N-tetradecanoyl-1-O-(11Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)