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1-O-tetracosyl-2-(18Z,21Z,24Z,27Z,30Z,33Z-hexatriacontahexaenoyl)-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1035693 Image of MNXM1035693
referenceslm:000728082
formulaC83H153NO8P
global charge-1
mol weight1324.11
InChIKeyKQXDHCHRYMWRAZ-MREMQHAPSA-M
InChIInChI=1S/C83H154NO8P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-37-38-39-40-41-42-43-44-45-46-47-49-51-54-57-60-63-66-69-72-75-83(86)92-81(79-89-77-73-70-67-64-61-58-55-52-50-48-35-33-31-29-26-23-20-17-14-11-8-5-2)80-91-93(87,88)90-78-76-84-82(85)74-71-68-65-62-59-56-53-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,34,37-38,40-41,81H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-36,39,42-80H2,1-3H3,(H,84,85)(H,87,88)/p-1/b10-7-,19-16-,28-25-,34-32-,38-37-,41-40-/t81-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C83H154NO8P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-37-38-39-40-41-42-43-44-45-46-47-49-51-54-57-60-63-66-69-72-75-83(86)92-81(79-89-77-73-70-67-64-61-58-55-52-50-48-35-33-31-29-26-23-20-17-14-11-8-5-2)80-91-93(87,88)90-78-76-84-82(85)74-71-68-65-62-59-56-53-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,34,37-38,40-41,81H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35-36,39,42-80H2,1-3H3,(H,84,85)(H,87,88)/b10-7-,19-16-,28-25-,34-32-,38-37-,41-40-/t81-/m1/s1 Image of MNXM1035693
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:37]=[CH:38]\[CH2:39]/[CH:40]=[CH:41]\[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:49][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][CH2:69][CH2:72][CH2:75][C:83](=[O:86])[O:92][C@H:81]([CH2:79][O:89][CH2:77][CH2:73][CH2:70][CH2:67][CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:50][CH2:48][CH2:35][CH2:33][CH2:31][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:80][O:91][P:93]([OH:87])(=[O:88])[O:90][CH2:78][CH2:76][N:84]=[C:82]([CH2:74][CH2:71][CH2:68][CH2:65][CH2:62][CH2:59][CH2:56][CH2:53][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:85]
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:000728082
slm:000728082
KQXDHCHRYMWRAZ-MREMQHAPSA-M
1-O-tetracosyl-2-(18Z,21Z,24Z,27Z,30Z,33Z-hexatriacontahexaenoyl)-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine
N-octadecanoyl-1-O-tetracosyl-2-(18Z,21Z,24Z,27Z,30Z,33Z-hexatriacontahexaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-24:0/36:6(18Z,21Z,24Z,27Z,30Z,33Z)/18:0)