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1-O-tetracosyl-2-octacosanoyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1035368 Image of MNXM1035368
referenceslm:000727757
formulaC69H137NO8P
global charge-1
mol weight1139.828
InChIKeyIBKGSAABIZZIEM-XQIOEBDSSA-M
InChIInChI=1S/C69H138NO8P/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-34-35-36-38-40-42-44-46-49-52-55-58-61-69(72)78-67(66-77-79(73,74)76-64-62-70-68(71)60-57-54-51-48-18-15-12-9-6-3)65-75-63-59-56-53-50-47-45-43-41-39-37-32-30-28-26-24-22-20-17-14-11-8-5-2/h67H,4-66H2,1-3H3,(H,70,71)(H,73,74)/p-1/t67-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C69H138NO8P/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-34-35-36-38-40-42-44-46-49-52-55-58-61-69(72)78-67(66-77-79(73,74)76-64-62-70-68(71)60-57-54-51-48-18-15-12-9-6-3)65-75-63-59-56-53-50-47-45-43-41-39-37-32-30-28-26-24-22-20-17-14-11-8-5-2/h67H,4-66H2,1-3H3,(H,70,71)(H,73,74)/t67-/m1/s1 Image of MNXM1035368
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][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][C:69](=[O:72])[O:78][C@H:67]([CH2:65][O:75][CH2:63][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][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])[CH2:66][O:77][P:79]([OH:73])(=[O:74])[O:76][CH2:64][CH2:62][N:70]=[C:68]([CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:71]
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:000727757
slm:000727757
IBKGSAABIZZIEM-XQIOEBDSSA-M
1-O-tetracosyl-2-octacosanoyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine
N-dodecanoyl-1-O-tetracosyl-2-octacosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (O-24:0/28:0/12:0)