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1-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-2-(6Z-octadecenoyl)-sn-glycero-3-phospho-N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM938558 Image of MNXM938558
referenceslm:000630943
formulaC75H129NO9P
global charge-1
mol weight1219.829
InChIKeyJITQPHPNBWFVPG-TUVFYJTRSA-M
InChIInChI=1S/C75H130NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-46-48-51-54-57-60-63-66-74(78)82-70-72(85-75(79)67-64-61-58-55-52-49-45-27-24-21-18-15-12-9-6-3)71-84-86(80,81)83-69-68-76-73(77)65-62-59-56-53-50-47-44-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28,30-31,33-34,44,52,55,72H,4-6,9,12-15,18,21-24,27,29,32,35-43,45-51,53-54,56-71H2,1-3H3,(H,76,77)(H,80,81)/p-1/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,34-33-,44-26-,55-52-/t72-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCC/C=C\CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C75H130NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-46-48-51-54-57-60-63-66-74(78)82-70-72(85-75(79)67-64-61-58-55-52-49-45-27-24-21-18-15-12-9-6-3)71-84-86(80,81)83-69-68-76-73(77)65-62-59-56-53-50-47-44-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28,30-31,33-34,44,52,55,72H,4-6,9,12-15,18,21-24,27,29,32,35-43,45-51,53-54,56-71H2,1-3H3,(H,76,77)(H,80,81)/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,34-33-,44-26-,55-52-/t72-/m1/s1 Image of MNXM938558
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32]/[CH:33]=[CH:34]\[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:46][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:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:77])[O:85][C:75]([CH2:67][CH2:64][CH2:61][CH2:58]/[CH:55]=[CH:52]\[CH2:49][CH2:45][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[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:000630943
slm:000630943
JITQPHPNBWFVPG-TUVFYJTRSA-M 		1-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-2-(6Z-octadecenoyl)-sn-glycero-3-phospho-N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine
N-(9Z,12Z,15Z-octadecatrienoyl)-1-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-2-(6Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (34:5(19Z,22Z,25Z,28Z,31Z)/18:1(6Z)/18:3(9Z,12Z,15Z))