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

PropertiesImage
MNX_IDMNXM938929 Image of MNXM938929
referenceslm:000631314
formulaC73H133NO9P
global charge-1
mol weight1199.839
InChIKeyZSKPFXVBUVTPTJ-KXSPSGGMSA-M
InChIInChI=1S/C73H134NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-56-58-61-64-72(76)80-68-70(69-82-84(78,79)81-67-66-74-71(75)63-60-9-6-3)83-73(77)65-62-59-57-55-53-51-49-47-45-43-40-29-27-25-23-21-19-17-15-13-11-8-5-2/h7,10,14,16,20,22,26,28,31-32,70H,4-6,8-9,11-13,15,17-19,21,23-25,27,29-30,33-69H2,1-3H3,(H,74,75)(H,78,79)/p-1/b10-7-,16-14-,22-20-,28-26-,32-31-/t70-/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)CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C73H134NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-56-58-61-64-72(76)80-68-70(69-82-84(78,79)81-67-66-74-71(75)63-60-9-6-3)83-73(77)65-62-59-57-55-53-51-49-47-45-43-40-29-27-25-23-21-19-17-15-13-11-8-5-2/h7,10,14,16,20,22,26,28,31-32,70H,4-6,8-9,11-13,15,17-19,21,23-25,27,29-30,33-69H2,1-3H3,(H,74,75)(H,78,79)/b10-7-,16-14-,22-20-,28-26-,32-31-/t70-/m1/s1 Image of MNXM938929
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][CH2:61][CH2:64][C:72](=[O:76])[O:80][CH2:68][C@H:70]([CH2:69][O:82][P:84]([OH:78])(=[O:79])[O:81][CH2:67][CH2:66][N:74]=[C:71]([CH2:63][CH2:60][CH2:9][CH2:6][CH3:3])[OH:75])[O:83][C:73]([CH2:65][CH2:62][CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:40][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:77]
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:000631314
slm:000631314
ZSKPFXVBUVTPTJ-KXSPSGGMSA-M
1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-hexacosanoyl-sn-glycero-3-phospho-N-hexanoyl-ethanolamine
N-hexanoyl-1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-hexacosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (36:5(21Z,24Z,27Z,30Z,33Z)/26:0/6:0)