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1-(10Z,13Z,16Z-docosatrienoyl)-2-hexanoyl-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM185035 Image of MNXM185035
referenceslm:000030406
formulaC33H60NO8P
global charge0
mol weight629.816
InChIKeyFFZYNDGOXRUBBC-BXFTWGFISA-N
InChIInChI=1S/C33H60NO8P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25-32(35)39-29-31(42-33(36)26-23-6-4-2)30-41-43(37,38)40-28-27-34/h9-10,12-13,15-16,31H,3-8,11,14,17-30,34H2,1-2H3,(H,37,38)/b10-9-,13-12-,16-15-/t31-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCC
MNX internals
InChI (mnx)InChI=1/C33H60NO8P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25-32(35)39-29-31(42-33(36)26-23-6-4-2)30-41-43(37,38)40-28-27-34/h9-10,12-13,15-16,31H,3-8,11,14,17-30,34H2,1-2H3,(H,37,38)/b10-9-,13-12-,16-15-/t31-/m1/s1 Image of MNXM185035
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:25][C:32](=[O:35])[O:39][CH2:29][C@H:31]([CH2:30][O:41][P:43]([OH:37])(=[O:38])[O:40][CH2:28][CH2:27][NH2:34])[O:42][C:33]([CH2:26][CH2:23][CH2:6][CH2:4][CH3:2])=[O: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:000030406
slm:000030406
FFZYNDGOXRUBBC-BXFTWGFISA-N
1-(10Z,13Z,16Z-docosatrienoyl)-2-hexanoyl-sn-glycero-3-phosphoethanolamine
PE(22:3(10Z,13Z,16Z)/6:0)
Phosphatidylethanolamine (22:3(10Z,13Z,16Z)/6:0)