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

PropertiesImage
MNX_IDMNXM938751 Image of MNXM938751
referenceslm:000631136
formulaC57H101NO9P
global charge-1
mol weight975.407
InChIKeyODOSCUDZQCHYFK-QRBURWSGSA-M
InChIInChI=1S/C57H102NO9P/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-57(61)64-52-55(67-54(3)59)53-66-68(62,63)65-51-50-58-56(60)48-46-44-42-40-38-15-13-11-9-7-5-2/h6,8,12,14,17-18,20-21,23-24,55H,4-5,7,9-11,13,15-16,19,22,25-53H2,1-3H3,(H,58,60)(H,62,63)/p-1/b8-6-,14-12-,18-17-,21-20-,24-23-/t55-/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(C)=O
MNX internals
InChI (mnx)InChI=1/C57H102NO9P/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-57(61)64-52-55(67-54(3)59)53-66-68(62,63)65-51-50-58-56(60)48-46-44-42-40-38-15-13-11-9-7-5-2/h6,8,12,14,17-18,20-21,23-24,55H,4-5,7,9-11,13,15-16,19,22,25-53H2,1-3H3,(H,58,60)(H,62,63)/b8-6-,14-12-,18-17-,21-20-,24-23-/t55-/m1/s1 Image of MNXM938751
SMILES (mnx)[CH3:1][CH2:4]/[CH:6]=[CH:8]\[CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:57](=[O:61])[O:64][CH2:52][C@H:55]([CH2:53][O:66][P:68]([OH:62])(=[O:63])[O:65][CH2:51][CH2:50][N:58]=[C:56]([CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:60])[O:67][C:54]([CH3:3])=[O:59]
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:000631136
slm:000631136
ODOSCUDZQCHYFK-QRBURWSGSA-M
1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-acetyl-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine
N-tetradecanoyl-1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-acetyl-sn-glycero-3-phosphoethanolamine
NAPE (36:5(21Z,24Z,27Z,30Z,33Z)/2:0/14:0)