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1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-(6Z,9Z,12Z,15Z,18Z-tetracosapentaenoyl)-sn-glycero-3-phospho-N-(9Z-octadecenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM964240 Image of MNXM964240
referenceslm:000656625
formulaC75H127NO9P
global charge-1
mol weight1217.813
InChIKeyHWDMQFMUKRHOHB-NGZPPCKFSA-M
InChIInChI=1S/C75H128NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-39-40-42-45-48-51-54-57-60-63-66-74(78)82-70-72(85-75(79)67-64-61-58-55-52-49-46-43-41-38-33-31-29-26-23-20-17-14-11-8-5-2)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/h16-17,19-20,25-29,32-34,36-38,43-44,46,52,55,72H,4-15,18,21-24,30-31,35,39-42,45,47-51,53-54,56-71H2,1-3H3,(H,76,77)(H,80,81)/p-1/b19-16-,20-17-,28-25-,29-26-,34-32-,37-36-,38-33-,44-27-,46-43-,55-52-/t72-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C75H128NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-39-40-42-45-48-51-54-57-60-63-66-74(78)82-70-72(85-75(79)67-64-61-58-55-52-49-46-43-41-38-33-31-29-26-23-20-17-14-11-8-5-2)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/h16-17,19-20,25-29,32-34,36-38,43-44,46,52,55,72H,4-15,18,21-24,30-31,35,39-42,45,47-51,53-54,56-71H2,1-3H3,(H,76,77)(H,80,81)/b19-16-,20-17-,28-25-,29-26-,34-32-,37-36-,38-33-,44-27-,46-43-,55-52-/t72-/m1/s1 Image of MNXM964240
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:34]\[CH2:35]/[CH:36]=[CH:37]\[CH2:39][CH2:40][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][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:77])[O:85][C:75]([CH2:67][CH2:64][CH2:61][CH2:58]/[CH:55]=[CH:52]\[CH2:49]/[CH:46]=[CH:43]\[CH2:41]/[CH:38]=[CH:33]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH: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:000656625
slm:000656625
HWDMQFMUKRHOHB-NGZPPCKFSA-M 		1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-(6Z,9Z,12Z,15Z,18Z-tetracosapentaenoyl)-sn-glycero-3-phospho-N-(9Z-octadecenoyl)-ethanolamine
N-(9Z-octadecenoyl)-1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-(6Z,9Z,12Z,15Z,18Z-tetracosapentaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (28:4(13Z,16Z,19Z,22Z)/24:5(6Z,9Z,12Z,15Z,18Z)/18:1(9Z))