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1-O-(9Z,12Z-octadecadienyl)-2-octacosanoyl-sn-glycero-3-phospho-N-hexanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1044773 Image of MNXM1044773
referenceslm:000737162
formulaC57H109NO8P
global charge-1
mol weight967.472
InChIKeyIDQBIYUOSQHHBZ-YANHGCDLSA-M
InChIInChI=1S/C57H110NO8P/c1-4-7-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-46-49-57(60)66-55(54-65-67(61,62)64-52-50-58-56(59)48-45-9-6-3)53-63-51-47-44-42-40-38-36-34-23-21-19-17-15-13-11-8-5-2/h15,17,21,23,55H,4-14,16,18-20,22,24-54H2,1-3H3,(H,58,59)(H,61,62)/p-1/b17-15-,23-21-/t55-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCCOC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C57H110NO8P/c1-4-7-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-46-49-57(60)66-55(54-65-67(61,62)64-52-50-58-56(59)48-45-9-6-3)53-63-51-47-44-42-40-38-36-34-23-21-19-17-15-13-11-8-5-2/h15,17,21,23,55H,4-14,16,18-20,22,24-54H2,1-3H3,(H,58,59)(H,61,62)/b17-15-,23-21-/t55-/m1/s1 Image of MNXM1044773
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:46][CH2:49][C:57](=[O:60])[O:66][C@H:55]([CH2:53][O:63][CH2:51][CH2:47][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:54][O:65][P:67]([OH:61])(=[O:62])[O:64][CH2:52][CH2:50][N:58]=[C:56]([CH2:48][CH2:45][CH2:9][CH2:6][CH3:3])[OH: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:000737162
slm:000737162
IDQBIYUOSQHHBZ-YANHGCDLSA-M
1-O-(9Z,12Z-octadecadienyl)-2-octacosanoyl-sn-glycero-3-phospho-N-hexanoyl-ethanolamine
N-hexanoyl-1-O-(9Z,12Z-octadecadienyl)-2-octacosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (O-18:2(9Z,12Z)/28:0/6:0)