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1-O-octacosyl-2-hexacosanoyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1037706 Image of MNXM1037706
referenceslm:000730095
formulaC71H141NO8P
global charge-1
mol weight1167.882
InChIKeyYKIRXGDRDXCZQG-UPFDQZFOSA-M
InChIInChI=1S/C71H142NO8P/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-34-35-37-39-41-43-45-47-49-52-55-58-61-65-77-67-69(68-79-81(75,76)78-66-64-72-70(73)62-59-56-53-50-18-15-12-9-6-3)80-71(74)63-60-57-54-51-48-46-44-42-40-38-36-32-30-28-26-24-22-20-17-14-11-8-5-2/h69H,4-68H2,1-3H3,(H,72,73)(H,75,76)/p-1/t69-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C71H142NO8P/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-34-35-37-39-41-43-45-47-49-52-55-58-61-65-77-67-69(68-79-81(75,76)78-66-64-72-70(73)62-59-56-53-50-18-15-12-9-6-3)80-71(74)63-60-57-54-51-48-46-44-42-40-38-36-32-30-28-26-24-22-20-17-14-11-8-5-2/h69H,4-68H2,1-3H3,(H,72,73)(H,75,76)/t69-/m1/s1 Image of MNXM1037706
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:34][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][CH2:65][O:77][CH2:67][C@H:69]([CH2:68][O:79][P:81]([OH:75])(=[O:76])[O:78][CH2:66][CH2:64][N:72]=[C:70]([CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:73])[O:80][C:71]([CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:74]
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:000730095
slm:000730095
YKIRXGDRDXCZQG-UPFDQZFOSA-M
1-O-octacosyl-2-hexacosanoyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine
N-dodecanoyl-1-O-octacosyl-2-hexacosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (O-28:0/26:0/12:0)