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1-butanoyl-2-(11Z,14Z,17Z,20Z,23Z-hexacosapentaenoyl)-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM343434 Image of MNXM343434
referenceslm:000035005
formulaC35H60NO8P
global charge0
mol weight653.838
InChIKeyOFPITRHTDIGNTB-CMDQLJFXSA-N
InChIInChI=1S/C35H60NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-35(38)44-33(31-41-34(37)27-4-2)32-43-45(39,40)42-30-29-36/h5-6,8-9,11-12,14-15,17-18,33H,3-4,7,10,13,16,19-32,36H2,1-2H3,(H,39,40)/b6-5-,9-8-,12-11-,15-14-,18-17-/t33-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OCC[NH3+]
MNX internals
InChI (mnx)InChI=1/C35H60NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-35(38)44-33(31-41-34(37)27-4-2)32-43-45(39,40)42-30-29-36/h5-6,8-9,11-12,14-15,17-18,33H,3-4,7,10,13,16,19-32,36H2,1-2H3,(H,39,40)/b6-5-,9-8-,12-11-,15-14-,18-17-/t33-/m1/s1 Image of MNXM343434
SMILES (mnx)[CH3:1][CH2:3]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][C:35](=[O:38])[O:44][C@H:33]([CH2:31][O:41][C:34]([CH2:27][CH2:4][CH3:2])=[O:37])[CH2:32][O:43][P:45]([OH:39])(=[O:40])[O:42][CH2:30][CH2:29][NH2:36]
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:000035005
slm:000035005
OFPITRHTDIGNTB-CMDQLJFXSA-N
1-butanoyl-2-(11Z,14Z,17Z,20Z,23Z-hexacosapentaenoyl)-sn-glycero-3-phosphoethanolamine
PE(4:0/26:5(11Z,14Z,17Z,20Z,23Z))
Phosphatidylethanolamine (4:0/26:5(11Z,14Z,17Z,20Z,23Z))