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1-(8Z,11Z,14Z-eicosatrienoyl)-2-hexacosanoyl-sn-glycero-3-phospho-N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM956577 Image of MNXM956577
referenceslm:000648962
formulaC73H125NO9P
global charge-1
mol weight1191.775
InChIKeyQFFXECNNJJMPHH-DODOICDVSA-M
InChIInChI=1S/C73H126NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-34-35-36-38-41-44-47-50-53-56-59-62-65-73(77)83-70(68-80-72(76)64-61-58-55-52-49-46-43-39-30-27-24-21-18-15-12-9-6-3)69-82-84(78,79)81-67-66-74-71(75)63-60-57-54-51-48-45-42-40-37-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,37,40,43,45-46,48,54,57,70H,4-7,9-10,12-16,19,22-25,28,31-36,38-39,41-42,44,47,49-53,55-56,58-69H2,1-3H3,(H,74,75)(H,78,79)/p-1/b11-8-,20-17-,21-18-,29-26-,30-27-,40-37-,46-43-,48-45-,57-54-/t70-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C73H126NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-34-35-36-38-41-44-47-50-53-56-59-62-65-73(77)83-70(68-80-72(76)64-61-58-55-52-49-46-43-39-30-27-24-21-18-15-12-9-6-3)69-82-84(78,79)81-67-66-74-71(75)63-60-57-54-51-48-45-42-40-37-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,37,40,43,45-46,48,54,57,70H,4-7,9-10,12-16,19,22-25,28,31-36,38-39,41-42,44,47,49-53,55-56,58-69H2,1-3H3,(H,74,75)(H,78,79)/b11-8-,20-17-,21-18-,29-26-,30-27-,40-37-,46-43-,48-45-,57-54-/t70-/m1/s1 Image of MNXM956577
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][C:73](=[O:77])[O:83][C@H:70]([CH2:68][O:80][C:72]([CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49]/[CH:46]=[CH:43]\[CH2:39]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:76])[CH2:69][O:82][P:84]([OH:78])(=[O:79])[O:81][CH2:67][CH2:66][N:74]=[C:71]([CH2:63][CH2:60]/[CH:57]=[CH:54]\[CH2:51]/[CH:48]=[CH:45]\[CH2:42]/[CH:40]=[CH:37]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:75]
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:000648962
slm:000648962
QFFXECNNJJMPHH-DODOICDVSA-M 		1-(8Z,11Z,14Z-eicosatrienoyl)-2-hexacosanoyl-sn-glycero-3-phospho-N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-ethanolamine
N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-1-(8Z,11Z,14Z-eicosatrienoyl)-2-hexacosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (20:3(8Z,11Z,14Z)/26:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))