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1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(16Z,19Z,22Z,25Z,28Z,31Z-tetratriacontahexaenoyl)-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM939254 Image of MNXM939254
referenceslm:000631639
formulaC87H149NO9P
global charge-1
mol weight1384.121
InChIKeyOGHRZAJSEFPYPV-DZBNBOFISA-M
InChIInChI=1S/C87H150NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-35-37-39-41-42-44-45-47-49-51-53-55-57-59-61-63-66-69-72-75-78-86(90)94-82-84(83-96-98(92,93)95-81-80-88-85(89)77-74-71-68-65-18-15-12-9-6-3)97-87(91)79-76-73-70-67-64-62-60-58-56-54-52-50-48-46-43-40-38-36-34-32-30-28-26-24-22-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,23-26,29-32,35-38,43,46,84H,4-6,9,12-15,18,21-22,27-28,33-34,39-42,44-45,47-83H2,1-3H3,(H,88,89)(H,92,93)/p-1/b10-7-,11-8-,19-16-,20-17-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-,46-43-/t84-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=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)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C87H150NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-35-37-39-41-42-44-45-47-49-51-53-55-57-59-61-63-66-69-72-75-78-86(90)94-82-84(83-96-98(92,93)95-81-80-88-85(89)77-74-71-68-65-18-15-12-9-6-3)97-87(91)79-76-73-70-67-64-62-60-58-56-54-52-50-48-46-43-40-38-36-34-32-30-28-26-24-22-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,23-26,29-32,35-38,43,46,84H,4-6,9,12-15,18,21-22,27-28,33-34,39-42,44-45,47-83H2,1-3H3,(H,88,89)(H,92,93)/b10-7-,11-8-,19-16-,20-17-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-,46-43-/t84-/m1/s1 Image of MNXM939254
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33]/[CH:35]=[CH:37]\[CH2:39][CH2:41][CH2:42][CH2:44][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][CH2:61][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][CH2:18][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][CH2:62][CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48]/[CH:46]=[CH:43]\[CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[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:000631639
slm:000631639
OGHRZAJSEFPYPV-DZBNBOFISA-M
1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(16Z,19Z,22Z,25Z,28Z,31Z-tetratriacontahexaenoyl)-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine
N-dodecanoyl-1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(16Z,19Z,22Z,25Z,28Z,31Z-tetratriacontahexaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (36:5(21Z,24Z,27Z,30Z,33Z)/34:6(16Z,19Z,22Z,25Z,28Z,31Z)/12:0)