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1-(8Z,11Z,14Z-eicosatrienoyl)-2-(19Z,22Z,25Z,28Z-tetratriacontatetraenoyl)-sn-glycero-3-phospho-N-(6Z,9Z,12Z-octadecatrienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM957125 Image of MNXM957125
referenceslm:000649510
formulaC77H131NO9P
global charge-1
mol weight1245.867
InChIKeyPURCDNFOKQQSDP-KEMDZSQPSA-M
InChIInChI=1S/C77H132NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-40-41-42-43-45-48-51-54-57-60-63-66-69-77(81)87-74(72-84-76(80)68-65-62-59-56-53-50-47-44-29-26-23-20-17-14-11-8-5-2)73-86-88(82,83)85-71-70-78-75(79)67-64-61-58-55-52-49-46-27-24-21-18-15-12-9-6-3/h16-21,25-29,31-32,34-35,46-47,50,52,55,74H,4-15,22-24,30,33,36-45,48-49,51,53-54,56-73H2,1-3H3,(H,78,79)(H,82,83)/p-1/b19-16-,20-17-,21-18-,28-25-,29-26-,32-31-,35-34-,46-27-,50-47-,55-52-/t74-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C77H132NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-40-41-42-43-45-48-51-54-57-60-63-66-69-77(81)87-74(72-84-76(80)68-65-62-59-56-53-50-47-44-29-26-23-20-17-14-11-8-5-2)73-86-88(82,83)85-71-70-78-75(79)67-64-61-58-55-52-49-46-27-24-21-18-15-12-9-6-3/h16-21,25-29,31-32,34-35,46-47,50,52,55,74H,4-15,22-24,30,33,36-45,48-49,51,53-54,56-73H2,1-3H3,(H,78,79)(H,82,83)/b19-16-,20-17-,21-18-,28-25-,29-26-,32-31-,35-34-,46-27-,50-47-,55-52-/t74-/m1/s1 Image of MNXM957125
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:31]=[CH:32]\[CH2:33]/[CH:34]=[CH:35]\[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][CH2:69][C:77](=[O:81])[O:87][C@H:74]([CH2:72][O:84][C:76]([CH2:68][CH2:65][CH2:62][CH2:59][CH2:56][CH2:53]/[CH:50]=[CH:47]\[CH2:44]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:80])[CH2:73][O:86][P:88]([OH:82])(=[O:83])[O:85][CH2:71][CH2:70][N:78]=[C:75]([CH2:67][CH2:64][CH2:61][CH2:58]/[CH:55]=[CH:52]\[CH2:49]/[CH:46]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH: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:000649510
slm:000649510
PURCDNFOKQQSDP-KEMDZSQPSA-M 		1-(8Z,11Z,14Z-eicosatrienoyl)-2-(19Z,22Z,25Z,28Z-tetratriacontatetraenoyl)-sn-glycero-3-phospho-N-(6Z,9Z,12Z-octadecatrienoyl)-ethanolamine
N-(6Z,9Z,12Z-octadecatrienoyl)-1-(8Z,11Z,14Z-eicosatrienoyl)-2-(19Z,22Z,25Z,28Z-tetratriacontatetraenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (20:3(8Z,11Z,14Z)/34:4(19Z,22Z,25Z,28Z)/18:3(6Z,9Z,12Z))