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1-(6Z,9Z,12Z-octadecatrienoyl)-2-(15Z-tetracosenoyl)-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM956155 Image of MNXM956155
referenceslm:000648540
formulaC65H119NO9P
global charge-1
mol weight1089.639
InChIKeyHALZVXAVANTLSE-CTYHKZDQSA-M
InChIInChI=1S/C65H120NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-65(69)75-62(60-72-64(68)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)61-74-76(70,71)73-59-58-66-63(67)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,35,41,44,62H,4-17,19-20,22-24,26,29-34,36-40,42-43,45-61H2,1-3H3,(H,66,67)(H,70,71)/p-1/b21-18-,28-25-,35-27-,44-41-/t62-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C65H120NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-65(69)75-62(60-72-64(68)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)61-74-76(70,71)73-59-58-66-63(67)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,35,41,44,62H,4-17,19-20,22-24,26,29-34,36-40,42-43,45-61H2,1-3H3,(H,66,67)(H,70,71)/b21-18-,28-25-,35-27-,44-41-/t62-/m1/s1 Image of MNXM956155
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][C:65](=[O:69])[O:75][C@H:62]([CH2:60][O:72][C:64]([CH2:56][CH2:53][CH2:50][CH2:47]/[CH:44]=[CH:41]\[CH2:38]/[CH:35]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:68])[CH2:61][O:74][P:76]([OH:70])(=[O:71])[O:73][CH2:59][CH2:58][N:66]=[C:63]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:67]
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:000648540
slm:000648540
HALZVXAVANTLSE-CTYHKZDQSA-M
1-(6Z,9Z,12Z-octadecatrienoyl)-2-(15Z-tetracosenoyl)-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine
N-octadecanoyl-1-(6Z,9Z,12Z-octadecatrienoyl)-2-(15Z-tetracosenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (18:3(6Z,9Z,12Z)/24:1(15Z)/18:0)