Search MNXref
 Feedback

1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(11Z,14Z,17Z-eicoastrienoyl)-sn-glycero-3-phospho-N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM938993 Image of MNXM938993
referenceslm:000631378
formulaC83H135NO9P
global charge-1
mol weight1321.965
InChIKeyPIJCCGWLMWUKFE-BYBOYHOWSA-M
InChIInChI=1S/C83H136NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-34-35-36-37-38-39-40-41-42-43-44-45-46-48-51-53-56-59-62-65-68-71-74-82(86)90-78-80(93-83(87)75-72-69-66-63-60-57-54-49-30-27-24-21-18-15-12-9-6-3)79-92-94(88,89)91-77-76-84-81(85)73-70-67-64-61-58-55-52-50-47-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,33-34,36-37,47,50,55,58,64,67,80H,4-6,13-15,22-24,31-32,35,38-46,48-49,51-54,56-57,59-63,65-66,68-79H2,1-3H3,(H,84,85)(H,88,89)/p-1/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,34-33-,37-36-,50-47-,58-55-,67-64-/t80-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C83H136NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-34-35-36-37-38-39-40-41-42-43-44-45-46-48-51-53-56-59-62-65-68-71-74-82(86)90-78-80(93-83(87)75-72-69-66-63-60-57-54-49-30-27-24-21-18-15-12-9-6-3)79-92-94(88,89)91-77-76-84-81(85)73-70-67-64-61-58-55-52-50-47-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,33-34,36-37,47,50,55,58,64,67,80H,4-6,13-15,22-24,31-32,35,38-46,48-49,51-54,56-57,59-63,65-66,68-79H2,1-3H3,(H,84,85)(H,88,89)/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,34-33-,37-36-,50-47-,58-55-,67-64-/t80-/m1/s1 Image of MNXM938993
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:33]=[CH:34]\[CH2:35]/[CH:36]=[CH:37]\[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:48][CH2:51][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][CH2:68][CH2:71][CH2:74][C:82](=[O:86])[O:90][CH2:78][C@H:80]([CH2:79][O:92][P:94]([OH:88])(=[O:89])[O:91][CH2:77][CH2:76][N:84]=[C:81]([CH2:73][CH2:70]/[CH:67]=[CH:64]\[CH2:61]/[CH:58]=[CH:55]\[CH2:52]/[CH:50]=[CH:47]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:85])[O:93][C:83]([CH2:75][CH2:72][CH2:69][CH2:66][CH2:63][CH2:60][CH2:57][CH2:54][CH2:49]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:87]
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:000631378
slm:000631378
PIJCCGWLMWUKFE-BYBOYHOWSA-M 		1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(11Z,14Z,17Z-eicoastrienoyl)-sn-glycero-3-phospho-N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-ethanolamine
N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(11Z,14Z,17Z-eicoastrienoyl)-sn-glycero-3-phosphoethanolamine
NAPE (36:5(21Z,24Z,27Z,30Z,33Z)/18:3(11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))