Search MNXref
 Feedback

1-(11Z,14Z-eicosadienoyl)-2-(13Z-docosenoyl)-sn-glycero-3-phospho-N-hexanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM953783 Image of MNXM953783
referenceslm:000646168
formulaC53H97NO9P
global charge-1
mol weight923.331
InChIKeyULODBYKJMBASSM-OSGOGHEWSA-M
InChIInChI=1S/C53H98NO9P/c1-4-7-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-42-45-53(57)63-50(49-62-64(58,59)61-47-46-54-51(55)43-40-9-6-3)48-60-52(56)44-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-8-5-2/h15,17,20-23,50H,4-14,16,18-19,24-49H2,1-3H3,(H,54,55)(H,58,59)/p-1/b17-15-,22-20-,23-21-/t50-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C53H98NO9P/c1-4-7-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-42-45-53(57)63-50(49-62-64(58,59)61-47-46-54-51(55)43-40-9-6-3)48-60-52(56)44-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-8-5-2/h15,17,20-23,50H,4-14,16,18-19,24-49H2,1-3H3,(H,54,55)(H,58,59)/b17-15-,22-20-,23-21-/t50-/m1/s1 Image of MNXM953783
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18]/[CH:20]=[CH:22]\[CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:42][CH2:45][C:53](=[O:57])[O:63][C@H:50]([CH2:48][O:60][C:52]([CH2:44][CH2:41][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56])[CH2:49][O:62][P:64]([OH:58])(=[O:59])[O:61][CH2:47][CH2:46][N:54]=[C:51]([CH2:43][CH2:40][CH2:9][CH2:6][CH3:3])[OH:55]
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:000646168
slm:000646168
ULODBYKJMBASSM-OSGOGHEWSA-M
1-(11Z,14Z-eicosadienoyl)-2-(13Z-docosenoyl)-sn-glycero-3-phospho-N-hexanoyl-ethanolamine
N-hexanoyl-1-(11Z,14Z-eicosadienoyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (20:2(11Z,14Z)/22:1(13Z)/6:0)