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1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoyl)-sn-glycero-3-phospho-N-(9Z,12Z-octadecadienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM939218 Image of MNXM939218
referenceslm:000631603
formulaC87H145NO9P
global charge-1
mol weight1380.089
InChIKeyNIAVMFAEODAJCH-LBDPIDHHSA-M
InChIInChI=1S/C87H146NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-39-40-41-42-43-44-45-47-48-50-52-54-57-60-63-66-69-72-75-78-86(90)94-82-84(83-96-98(92,93)95-81-80-88-85(89)77-74-71-68-65-62-59-56-27-24-21-18-15-12-9-6-3)97-87(91)79-76-73-70-67-64-61-58-55-53-51-49-46-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-35,38-39,46,49,53,55-56,84H,4-6,9,12-15,22-24,30-31,36-37,40-45,47-48,50-52,54,57-83H2,1-3H3,(H,88,89)(H,92,93)/p-1/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,39-38-,49-46-,55-53-,56-27-/t84-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C87H146NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-39-40-41-42-43-44-45-47-48-50-52-54-57-60-63-66-69-72-75-78-86(90)94-82-84(83-96-98(92,93)95-81-80-88-85(89)77-74-71-68-65-62-59-56-27-24-21-18-15-12-9-6-3)97-87(91)79-76-73-70-67-64-61-58-55-53-51-49-46-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-35,38-39,46,49,53,55-56,84H,4-6,9,12-15,22-24,30-31,36-37,40-45,47-48,50-52,54,57-83H2,1-3H3,(H,88,89)(H,92,93)/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,39-38-,49-46-,55-53-,56-27-/t84-/m1/s1 Image of MNXM939218
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36]/[CH:38]=[CH:39]\[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:47][CH2:48][CH2:50][CH2:52][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][CH2:69][CH2:72][CH2:75][CH2:78][C:86](=[O:90])[O:94][CH2:82][C@H:84]([CH2:83][O:96][P:98]([OH:92])(=[O:93])[O:95][CH2:81][CH2:80][N:88]=[C:85]([CH2:77][CH2:74][CH2:71][CH2:68][CH2:65][CH2:62][CH2:59]/[CH:56]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:89])[O:97][C:87]([CH2:79][CH2:76][CH2:73][CH2:70][CH2:67][CH2:64][CH2:61][CH2:58]/[CH:55]=[CH:53]\[CH2:51]/[CH:49]=[CH:46]\[CH2:37]/[CH:35]=[CH:33]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:91]
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:000631603
slm:000631603
NIAVMFAEODAJCH-LBDPIDHHSA-M 		1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoyl)-sn-glycero-3-phospho-N-(9Z,12Z-octadecadienoyl)-ethanolamine
N-(9Z,12Z-octadecadienoyl)-1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (36:5(21Z,24Z,27Z,30Z,33Z)/28:6(10Z,13Z,16Z,19Z,22Z,25Z)/18:2(9Z,12Z))