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1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoyl)-sn-glycero-3-phospho-N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM939244 Image of MNXM939244
referenceslm:000631629
formulaC91H151NO9P
global charge-1
mol weight1434.181
InChIKeyOCTDJNJEIUSZSI-BWWZCKAASA-M
InChIInChI=1S/C91H152NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-43-44-45-47-48-50-52-54-56-58-61-64-67-70-73-76-79-82-90(94)98-86-88(87-100-102(96,97)99-85-84-92-89(93)81-78-75-72-69-66-63-60-27-24-21-18-15-12-9-6-3)101-91(95)83-80-77-74-71-68-65-62-59-57-55-53-51-49-46-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-35,38-41,49,51,60,88H,4-6,13-15,22-24,30-31,36-37,42-48,50,52-59,61-87H2,1-3H3,(H,92,93)(H,96,97)/p-1/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,40-38-,41-39-,51-49-,60-27-/t88-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=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\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C91H152NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-43-44-45-47-48-50-52-54-56-58-61-64-67-70-73-76-79-82-90(94)98-86-88(87-100-102(96,97)99-85-84-92-89(93)81-78-75-72-69-66-63-60-27-24-21-18-15-12-9-6-3)101-91(95)83-80-77-74-71-68-65-62-59-57-55-53-51-49-46-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-35,38-41,49,51,60,88H,4-6,13-15,22-24,30-31,36-37,42-48,50,52-59,61-87H2,1-3H3,(H,92,93)(H,96,97)/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,40-38-,41-39-,51-49-,60-27-/t88-/m1/s1 Image of MNXM939244
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:40]\[CH2:42][CH2:43][CH2:44][CH2:45][CH2:47][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][CH2:61][CH2:64][CH2:67][CH2:70][CH2:73][CH2:76][CH2:79][CH2:82][C:90](=[O:94])[O:98][CH2:86][C@H:88]([CH2:87][O:100][P:102]([OH:96])(=[O:97])[O:99][CH2:85][CH2:84][N:92]=[C:89]([CH2:81][CH2:78][CH2:75][CH2:72][CH2:69][CH2:66][CH2:63]/[CH:60]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])[OH:93])[O:101][C:91]([CH2:83][CH2:80][CH2:77][CH2:74][CH2:71][CH2:68][CH2:65][CH2:62][CH2:59][CH2:57][CH2:55][CH2:53]/[CH:51]=[CH:49]\[CH2:46]/[CH:41]=[CH:39]\[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:95]
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:000631629
slm:000631629
OCTDJNJEIUSZSI-BWWZCKAASA-M 		1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoyl)-sn-glycero-3-phospho-N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine
N-(9Z,12Z,15Z-octadecatrienoyl)-1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (36:5(21Z,24Z,27Z,30Z,33Z)/32:6(14Z,17Z,20Z,23Z,26Z,29Z)/18:3(9Z,12Z,15Z))