Search MNXref
 Feedback

1-O-(11Z-eicosenyl)-2-tetracosanoyl-sn-glycero-3-phospho-N-hexanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1042393 Image of MNXM1042393
referenceslm:000734782
formulaC55H107NO8P
global charge-1
mol weight941.434
InChIKeyKCNVCRJDLYVLJO-SGJFREAOSA-M
InChIInChI=1S/C55H108NO8P/c1-4-7-10-12-14-16-18-20-22-24-26-27-28-29-31-33-35-37-39-41-44-47-55(58)64-53(52-63-65(59,60)62-50-48-56-54(57)46-43-9-6-3)51-61-49-45-42-40-38-36-34-32-30-25-23-21-19-17-15-13-11-8-5-2/h21,23,53H,4-20,22,24-52H2,1-3H3,(H,56,57)(H,59,60)/p-1/b23-21-/t53-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCOC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C55H108NO8P/c1-4-7-10-12-14-16-18-20-22-24-26-27-28-29-31-33-35-37-39-41-44-47-55(58)64-53(52-63-65(59,60)62-50-48-56-54(57)46-43-9-6-3)51-61-49-45-42-40-38-36-34-32-30-25-23-21-19-17-15-13-11-8-5-2/h21,23,53H,4-20,22,24-52H2,1-3H3,(H,56,57)(H,59,60)/b23-21-/t53-/m1/s1 Image of MNXM1042393
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:27][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:44][CH2:47][C:55](=[O:58])[O:64][C@H:53]([CH2:51][O:61][CH2:49][CH2:45][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:25]/[CH:23]=[CH:21]\[CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:52][O:63][P:65]([OH:59])(=[O:60])[O:62][CH2:50][CH2:48][N:56]=[C:54]([CH2:46][CH2:43][CH2:9][CH2:6][CH3:3])[OH:57]
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:000734782
slm:000734782
KCNVCRJDLYVLJO-SGJFREAOSA-M
1-O-(11Z-eicosenyl)-2-tetracosanoyl-sn-glycero-3-phospho-N-hexanoyl-ethanolamine
N-hexanoyl-1-O-(11Z-eicosenyl)-2-tetracosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (O-20:1(11Z)/24:0/6:0)