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1-O-(13-methyltetradecyl)-2-(8Z,11Z,14Z,17Z-eicosatetraenoyl)-sn-glycero-3-phospho-N-(6Z,9Z,12Z-octadecatrienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1028389 Image of MNXM1028389
referenceslm:000720778
formulaC58H101NO8P
global charge-1
mol weight971.419
InChIKeyRNYVAQAEFGJNJY-QMPJDDFQSA-M
InChIInChI=1S/C58H102NO8P/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-33-37-41-45-49-58(61)67-56(53-64-51-46-42-38-34-30-29-31-35-39-43-47-55(3)4)54-66-68(62,63)65-52-50-59-57(60)48-44-40-36-32-27-25-23-20-18-16-14-12-10-8-6-2/h7,9,13-16,19-21,23-24,26-27,32,55-56H,5-6,8,10-12,17-18,22,25,28-31,33-54H2,1-4H3,(H,59,60)(H,62,63)/p-1/b9-7-,15-13-,16-14-,21-19-,23-20-,26-24-,32-27-/t56-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COCCCCCCCCCCCCC(C)C)COP(=O)([O-])OCCNC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C58H102NO8P/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-33-37-41-45-49-58(61)67-56(53-64-51-46-42-38-34-30-29-31-35-39-43-47-55(3)4)54-66-68(62,63)65-52-50-59-57(60)48-44-40-36-32-27-25-23-20-18-16-14-12-10-8-6-2/h7,9,13-16,19-21,23-24,26-27,32,55-56H,5-6,8,10-12,17-18,22,25,28-31,33-54H2,1-4H3,(H,59,60)(H,62,63)/b9-7-,15-13-,16-14-,21-19-,23-20-,26-24-,32-27-/t56-/m1/s1 Image of MNXM1028389
SMILES (mnx)[CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28][CH2:33][CH2:37][CH2:41][CH2:45][CH2:49][C:58](=[O:61])[O:67][C@H:56]([CH2:53][O:64][CH2:51][CH2:46][CH2:42][CH2:38][CH2:34][CH2:30][CH2:29][CH2:31][CH2:35][CH2:39][CH2:43][CH2:47][CH:55]([CH3:3])[CH3:4])[CH2:54][O:66][P:68]([OH:62])(=[O:63])[O:65][CH2:52][CH2:50][N:59]=[C:57]([CH2:48][CH2:44][CH2:40][CH2:36]/[CH:32]=[CH:27]\[CH2:25]/[CH:23]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:60]
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:000720778
slm:000720778
RNYVAQAEFGJNJY-QMPJDDFQSA-M
1-O-(13-methyltetradecyl)-2-(8Z,11Z,14Z,17Z-eicosatetraenoyl)-sn-glycero-3-phospho-N-(6Z,9Z,12Z-octadecatrienoyl)-ethanolamine
N-(6Z,9Z,12Z-octadecatrienoyl)-1-O-(13-methyltetradecyl)-2-(8Z,11Z,14Z,17Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-15:0(13-me)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))