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1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-eicosanoyl-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM938891 Image of MNXM938891
referenceslm:000631276
formulaC75H137NO9P
global charge-1
mol weight1227.893
InChIKeyMMAREWBRWJQYQH-ZQJJDAMRSA-M
InChIInChI=1S/C75H138NO9P/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-45-46-48-51-54-57-60-63-66-74(78)82-70-72(85-75(79)67-64-61-58-55-52-49-47-44-27-25-23-20-17-14-11-8-5-2)71-84-86(80,81)83-69-68-76-73(77)65-62-59-56-53-50-21-18-15-12-9-6-3/h7,10,16,19,24,26,29-30,32-33,72H,4-6,8-9,11-15,17-18,20-23,25,27-28,31,34-71H2,1-3H3,(H,76,77)(H,80,81)/p-1/b10-7-,19-16-,26-24-,30-29-,33-32-/t72-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C75H138NO9P/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-45-46-48-51-54-57-60-63-66-74(78)82-70-72(85-75(79)67-64-61-58-55-52-49-47-44-27-25-23-20-17-14-11-8-5-2)71-84-86(80,81)83-69-68-76-73(77)65-62-59-56-53-50-21-18-15-12-9-6-3/h7,10,16,19,24,26,29-30,32-33,72H,4-6,8-9,11-15,17-18,20-23,25,27-28,31,34-71H2,1-3H3,(H,76,77)(H,80,81)/b10-7-,19-16-,26-24-,30-29-,33-32-/t72-/m1/s1 Image of MNXM938891
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31]/[CH:32]=[CH:33]\[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:45][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][CH2:21][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][CH2:55][CH2:52][CH2:49][CH2:47][CH2:44][CH2:27][CH2:25][CH2:23][CH2:20][CH2:17][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:000631276
slm:000631276
MMAREWBRWJQYQH-ZQJJDAMRSA-M
1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-eicosanoyl-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine
N-tetradecanoyl-1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-eicosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (36:5(21Z,24Z,27Z,30Z,33Z)/20:0/14:0)