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1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-decanoyl-sn-glycero-3-phospho-N-(9Z,12Z-octadecadienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM963522 Image of MNXM963522
referenceslm:000655907
formulaC61H107NO9P
global charge-1
mol weight1029.499
InChIKeyFRHQHYUYAILFPG-FGFHNTRUSA-M
InChIInChI=1S/C61H108NO9P/c1-4-7-10-13-16-18-20-22-24-25-26-27-28-29-30-31-32-33-35-37-39-41-44-46-49-52-60(64)68-56-58(71-61(65)53-50-47-42-15-12-9-6-3)57-70-72(66,67)69-55-54-62-59(63)51-48-45-43-40-38-36-34-23-21-19-17-14-11-8-5-2/h16-19,22-24,26-27,29-30,34,58H,4-15,20-21,25,28,31-33,35-57H2,1-3H3,(H,62,63)(H,66,67)/p-1/b18-16-,19-17-,24-22-,27-26-,30-29-,34-23-/t58-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C61H108NO9P/c1-4-7-10-13-16-18-20-22-24-25-26-27-28-29-30-31-32-33-35-37-39-41-44-46-49-52-60(64)68-56-58(71-61(65)53-50-47-42-15-12-9-6-3)57-70-72(66,67)69-55-54-62-59(63)51-48-45-43-40-38-36-34-23-21-19-17-14-11-8-5-2/h16-19,22-24,26-27,29-30,34,58H,4-15,20-21,25,28,31-33,35-57H2,1-3H3,(H,62,63)(H,66,67)/b18-16-,19-17-,24-22-,27-26-,30-29-,34-23-/t58-/m1/s1 Image of MNXM963522
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:18]\[CH2:20]/[CH:22]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:44][CH2:46][CH2:49][CH2:52][C:60](=[O:64])[O:68][CH2:56][C@H:58]([CH2:57][O:70][P:72]([OH:66])(=[O:67])[O:69][CH2:55][CH2:54][N:62]=[C:59]([CH2:51][CH2:48][CH2:45][CH2:43][CH2:40][CH2:38][CH2:36]/[CH:34]=[CH:23]\[CH2:21]/[CH:19]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:63])[O:71][C:61]([CH2:53][CH2:50][CH2:47][CH2:42][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:65]
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:000655907
slm:000655907
FRHQHYUYAILFPG-FGFHNTRUSA-M
1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-decanoyl-sn-glycero-3-phospho-N-(9Z,12Z-octadecadienoyl)-ethanolamine
N-(9Z,12Z-octadecadienoyl)-1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-decanoyl-sn-glycero-3-phosphoethanolamine
NAPE (28:4(13Z,16Z,19Z,22Z)/10:0/18:2(9Z,12Z))