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1-(10Z,13Z,16Z-docosatrienoyl)-2-(6Z-octadecenoyl)-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM958547 Image of MNXM958547
referenceslm:000650932
formulaC59H107NO9P
global charge-1
mol weight1005.477
InChIKeyGGVSKGWYEXQVBW-MHPCIRCUSA-M
InChIInChI=1S/C59H108NO9P/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-58(62)66-54-56(69-59(63)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2)55-68-70(64,65)67-53-52-60-57(61)49-46-43-40-37-34-21-18-15-12-9-6-3/h16,19,24,26,28-29,36,39,56H,4-15,17-18,20-23,25,27,30-35,37-38,40-55H2,1-3H3,(H,60,61)(H,64,65)/p-1/b19-16-,26-24-,29-28-,39-36-/t56-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCC)OC(=O)CCCC/C=C\CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C59H108NO9P/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-58(62)66-54-56(69-59(63)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2)55-68-70(64,65)67-53-52-60-57(61)49-46-43-40-37-34-21-18-15-12-9-6-3/h16,19,24,26,28-29,36,39,56H,4-15,17-18,20-23,25,27,30-35,37-38,40-55H2,1-3H3,(H,60,61)(H,64,65)/b19-16-,26-24-,29-28-,39-36-/t56-/m1/s1 Image of MNXM958547
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:31][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][C:58](=[O:62])[O:66][CH2:54][C@H:56]([CH2:55][O:68][P:70]([OH:64])(=[O:65])[O:67][CH2:53][CH2:52][N:60]=[C:57]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:61])[O:69][C:59]([CH2:51][CH2:48][CH2:45][CH2:42]/[CH:39]=[CH:36]\[CH2:33][CH2:30][CH2:25][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:63]
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:000650932
slm:000650932
GGVSKGWYEXQVBW-MHPCIRCUSA-M
1-(10Z,13Z,16Z-docosatrienoyl)-2-(6Z-octadecenoyl)-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine
N-tetradecanoyl-1-(10Z,13Z,16Z-docosatrienoyl)-2-(6Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (22:3(10Z,13Z,16Z)/18:1(6Z)/14:0)