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1-(11Z,14Z,17Z,20Z-hexacosatetraenoyl)-2-eicosanoyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM962410 Image of MNXM962410
referenceslm:000654795
formulaC63H115NO9P
global charge-1
mol weight1061.585
InChIKeyYTTIHVDPAHNBOF-QMRNWOALSA-M
InChIInChI=1S/C63H116NO9P/c1-4-7-10-13-16-19-21-23-25-27-28-29-30-31-32-34-35-37-39-42-45-48-51-54-62(66)70-58-60(59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-18-15-12-9-6-3)73-63(67)55-52-49-46-43-40-38-36-33-26-24-22-20-17-14-11-8-5-2/h16,19,23,25,28-29,31-32,60H,4-15,17-18,20-22,24,26-27,30,33-59H2,1-3H3,(H,64,65)(H,68,69)/p-1/b19-16-,25-23-,29-28-,32-31-/t60-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C63H116NO9P/c1-4-7-10-13-16-19-21-23-25-27-28-29-30-31-32-34-35-37-39-42-45-48-51-54-62(66)70-58-60(59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-18-15-12-9-6-3)73-63(67)55-52-49-46-43-40-38-36-33-26-24-22-20-17-14-11-8-5-2/h16,19,23,25,28-29,31-32,60H,4-15,17-18,20-22,24,26-27,30,33-59H2,1-3H3,(H,64,65)(H,68,69)/b19-16-,25-23-,29-28-,32-31-/t60-/m1/s1 Image of MNXM962410
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:34][CH2:35][CH2:37][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][C:62](=[O:66])[O:70][CH2:58][C@H:60]([CH2:59][O:72][P:74]([OH:68])(=[O:69])[O:71][CH2:57][CH2:56][N:64]=[C:61]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:65])[O:73][C:63]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:38][CH2:36][CH2:33][CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O: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:000654795
slm:000654795
YTTIHVDPAHNBOF-QMRNWOALSA-M
1-(11Z,14Z,17Z,20Z-hexacosatetraenoyl)-2-eicosanoyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine
N-dodecanoyl-1-(11Z,14Z,17Z,20Z-hexacosatetraenoyl)-2-eicosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (26:4(11Z,14Z,17Z,20Z)/20:0/12:0)