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1-(15Z,18Z,21Z,24Z-triacontatetraenoyl)-2-(13Z-docosenoyl)-sn-glycero-3-phospho-N-(9Z,12Z-octadecadienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM965552 Image of MNXM965552
referenceslm:000657937
formulaC75H133NO9P
global charge-1
mol weight1223.861
InChIKeyZSWHBYCEGXXQSE-NITSPXNLSA-M
InChIInChI=1S/C75H134NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-41-42-45-48-51-54-57-60-63-66-74(78)82-70-72(85-75(79)67-64-61-58-55-52-49-46-43-40-31-29-26-23-20-17-14-11-8-5-2)71-84-86(80,81)83-69-68-76-73(77)65-62-59-56-53-50-47-44-27-24-21-18-15-12-9-6-3/h16,18-19,21,25-29,32-33,35-36,44,72H,4-15,17,20,22-24,30-31,34,37-43,45-71H2,1-3H3,(H,76,77)(H,80,81)/p-1/b19-16-,21-18-,28-25-,29-26-,33-32-,36-35-,44-27-/t72-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C75H134NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-41-42-45-48-51-54-57-60-63-66-74(78)82-70-72(85-75(79)67-64-61-58-55-52-49-46-43-40-31-29-26-23-20-17-14-11-8-5-2)71-84-86(80,81)83-69-68-76-73(77)65-62-59-56-53-50-47-44-27-24-21-18-15-12-9-6-3/h16,18-19,21,25-29,32-33,35-36,44,72H,4-15,17,20,22-24,30-31,34,37-43,45-71H2,1-3H3,(H,76,77)(H,80,81)/b19-16-,21-18-,28-25-,29-26-,33-32-,36-35-,44-27-/t72-/m1/s1 Image of MNXM965552
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:33]\[CH2:34]/[CH:35]=[CH:36]\[CH2:37][CH2:38][CH2:39][CH2:41][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][C:74](=[O:78])[O:82][CH2:70][C@H:72]([CH2:71][O:84][P:86]([OH:80])(=[O:81])[O:83][CH2:69][CH2:68][N:76]=[C:73]([CH2:65][CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47]/[CH:44]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:77])[O:85][C:75]([CH2:67][CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:31]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:79]
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:000657937
slm:000657937
ZSWHBYCEGXXQSE-NITSPXNLSA-M
1-(15Z,18Z,21Z,24Z-triacontatetraenoyl)-2-(13Z-docosenoyl)-sn-glycero-3-phospho-N-(9Z,12Z-octadecadienoyl)-ethanolamine
N-(9Z,12Z-octadecadienoyl)-1-(15Z,18Z,21Z,24Z-triacontatetraenoyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (30:4(15Z,18Z,21Z,24Z)/22:1(13Z)/18:2(9Z,12Z))