Search MNXref
 Feedback

1-O-(9Z,12Z-octadecadienyl)-2-(13Z-docosenoyl)-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1045506 Image of MNXM1045506
referenceslm:000737895
formulaC61H115NO8P
global charge-1
mol weight1021.564
InChIKeyYKFZSPHQRASDNH-PHUXMIOXSA-M
InChIInChI=1S/C61H116NO8P/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-61(64)70-59(57-67-55-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2)58-69-71(65,66)68-56-54-62-60(63)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3/h17,20,25-28,59H,4-16,18-19,21-24,29-58H2,1-3H3,(H,62,63)(H,65,66)/p-1/b20-17-,27-25-,28-26-/t59-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCCOC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C61H116NO8P/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-61(64)70-59(57-67-55-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2)58-69-71(65,66)68-56-54-62-60(63)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3/h17,20,25-28,59H,4-16,18-19,21-24,29-58H2,1-3H3,(H,62,63)(H,65,66)/b20-17-,27-25-,28-26-/t59-/m1/s1 Image of MNXM1045506
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:27]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][C:61](=[O:64])[O:70][C@H:59]([CH2:57][O:67][CH2:55][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:58][O:69][P:71]([OH:65])(=[O:66])[O:68][CH2:56][CH2:54][N:62]=[C:60]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH: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:000737895
slm:000737895
YKFZSPHQRASDNH-PHUXMIOXSA-M
1-O-(9Z,12Z-octadecadienyl)-2-(13Z-docosenoyl)-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine
N-hexadecanoyl-1-O-(9Z,12Z-octadecadienyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-18:2(9Z,12Z)/22:1(13Z)/16:0)