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1-O-(13-methyltetradecyl)-2-(6Z,9Z,12Z,15Z,18Z-tetracosapentaenoyl)-sn-glycero-3-phospho-N-(11Z-octadecenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1028909 Image of MNXM1028909
referenceslm:000721298
formulaC62H111NO8P
global charge-1
mol weight1029.543
InChIKeySNHNAYRKCCWMQI-NWBSTNSFSA-M
InChIInChI=1S/C62H112NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-37-41-45-49-53-62(65)71-60(57-68-55-50-46-42-38-34-33-35-39-43-47-51-59(3)4)58-70-72(66,67)69-56-54-63-61(64)52-48-44-40-36-31-29-27-20-18-16-14-12-10-8-6-2/h13,15-16,18-19,21,23-24,26,28,32,37,59-60H,5-12,14,17,20,22,25,27,29-31,33-36,38-58H2,1-4H3,(H,63,64)(H,66,67)/p-1/b15-13-,18-16-,21-19-,24-23-,28-26-,37-32-/t60-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COCCCCCCCCCCCCC(C)C)COP(=O)([O-])OCCNC(=O)CCCCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C62H112NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-37-41-45-49-53-62(65)71-60(57-68-55-50-46-42-38-34-33-35-39-43-47-51-59(3)4)58-70-72(66,67)69-56-54-63-61(64)52-48-44-40-36-31-29-27-20-18-16-14-12-10-8-6-2/h13,15-16,18-19,21,23-24,26,28,32,37,59-60H,5-12,14,17,20,22,25,27,29-31,33-36,38-58H2,1-4H3,(H,63,64)(H,66,67)/b15-13-,18-16-,21-19-,24-23-,28-26-,37-32-/t60-/m1/s1 Image of MNXM1028909
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:37]\[CH2:41][CH2:45][CH2:49][CH2:53][C:62](=[O:65])[O:71][C@H:60]([CH2:57][O:68][CH2:55][CH2:50][CH2:46][CH2:42][CH2:38][CH2:34][CH2:33][CH2:35][CH2:39][CH2:43][CH2:47][CH2:51][CH:59]([CH3:3])[CH3:4])[CH2:58][O:70][P:72]([OH:66])(=[O:67])[O:69][CH2:56][CH2:54][N:63]=[C:61]([CH2:52][CH2:48][CH2:44][CH2:40][CH2:36][CH2:31][CH2:29][CH2:27][CH2:20]/[CH:18]=[CH:16]\[CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:64]
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:000721298
slm:000721298
SNHNAYRKCCWMQI-NWBSTNSFSA-M
1-O-(13-methyltetradecyl)-2-(6Z,9Z,12Z,15Z,18Z-tetracosapentaenoyl)-sn-glycero-3-phospho-N-(11Z-octadecenoyl)-ethanolamine
N-(11Z-octadecenoyl)-1-O-(13-methyltetradecyl)-2-(6Z,9Z,12Z,15Z,18Z-tetracosapentaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-15:0(13-me)/24:5(6Z,9Z,12Z,15Z,18Z)/18:1(11Z))