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

PropertiesImage
MNX_IDMNXM938780 Image of MNXM938780
referenceslm:000631165
formulaC61H109NO9P
global charge-1
mol weight1031.515
InChIKeyXGMYKOKIZKKJMA-XWSHXAHJSA-M
InChIInChI=1S/C61H110NO9P/c1-4-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-53-60(64)68-56-58(71-61(65)51-6-3)57-70-72(66,67)69-55-54-62-59(63)52-49-47-45-43-41-39-18-16-14-12-10-8-5-2/h7,9,13,15,19-20,22-23,25-26,58H,4-6,8,10-12,14,16-18,21,24,27-57H2,1-3H3,(H,62,63)(H,66,67)/p-1/b9-7-,15-13-,20-19-,23-22-,26-25-/t58-/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)CCCCCCCCCCCCCCC)OC(=O)CCC
MNX internals
InChI (mnx)InChI=1/C61H110NO9P/c1-4-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-53-60(64)68-56-58(71-61(65)51-6-3)57-70-72(66,67)69-55-54-62-59(63)52-49-47-45-43-41-39-18-16-14-12-10-8-5-2/h7,9,13,15,19-20,22-23,25-26,58H,4-6,8,10-12,14,16-18,21,24,27-57H2,1-3H3,(H,62,63)(H,66,67)/b9-7-,15-13-,20-19-,23-22-,26-25-/t58-/m1/s1 Image of MNXM938780
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:53][C:60](=[O:64])[O:68][CH2:56][C@H:58]([CH2:57][O:70][P:72]([OH:66])(=[O:67])[O:69][CH2:55][CH2:54][N:62]=[C:59]([CH2:52][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:5][CH3:2])[OH:63])[O:71][C:61]([CH2:51][CH2:6][CH3:3])=[O:65]
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:000631165
slm:000631165
XGMYKOKIZKKJMA-XWSHXAHJSA-M
1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-butanoyl-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine
N-hexadecanoyl-1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-butanoyl-sn-glycero-3-phosphoethanolamine
NAPE (36:5(21Z,24Z,27Z,30Z,33Z)/4:0/16:0)