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1-O-(1Z,13Z-octadecadienyl)-2-heptadecanoyl-sn-glycero-3-phospho-N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1025656 Image of MNXM1025656
referenceslm:000718045
formulaC58H105NO8P
global charge-1
mol weight975.451
InChIKeyCXCYSLFERZHBOP-LZWMQUIHSA-M
InChIInChI=1S/C58H106NO8P/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-52-64-54-56(67-58(61)50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)55-66-68(62,63)65-53-51-59-57(60)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,26,29,48,52,56H,4-7,9-10,12,14-15,18-19,21-25,27-28,30-47,49-51,53-55H2,1-3H3,(H,59,60)(H,62,63)/p-1/b11-8-,16-13-,20-17-,29-26-,52-48-/t56-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](CO/C=C\CCCCCCCCCC/C=C\CCCC)OC(=O)CCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C58H106NO8P/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-52-64-54-56(67-58(61)50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)55-66-68(62,63)65-53-51-59-57(60)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,13,16-17,20,26,29,48,52,56H,4-7,9-10,12,14-15,18-19,21-25,27-28,30-47,49-51,53-55H2,1-3H3,(H,59,60)(H,62,63)/b11-8-,16-13-,20-17-,29-26-,52-48-/t56-/m1/s1 Image of MNXM1025656
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10]/[CH:13]=[CH:16]\[CH2:19][CH2:22][CH2:25][CH2:28][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45]/[CH:48]=[CH:52]\[O:64][CH2:54][C@H:56]([CH2:55][O:66][P:68]([OH:62])(=[O:63])[O:65][CH2:53][CH2:51][N:59]=[C:57]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:60])[O:67][C:58]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61]
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:000718045
slm:000718045
CXCYSLFERZHBOP-LZWMQUIHSA-M
1-O-(1Z,13Z-octadecadienyl)-2-heptadecanoyl-sn-glycero-3-phospho-N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine
N-(9Z,12Z,15Z-octadecatrienoyl)-1-O-(1Z,13Z-octadecadienyl)-2-heptadecanoyl-sn-glycero-3-phosphoethanolamine
NAPE (P-18:1(13Z)/17:0/18:3(9Z,12Z,15Z))