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1-butanoyl-2-(13Z-docosenoyl)-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM343602 Image of MNXM343602
referenceslm:000035017
formulaC31H60NO8P
global charge0
mol weight605.794
InChIKeyNKGTYWFLHQVVJC-OPHGVGKPSA-N
InChIInChI=1S/C31H60NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31(34)40-29(27-37-30(33)23-4-2)28-39-41(35,36)38-26-25-32/h11-12,29H,3-10,13-28,32H2,1-2H3,(H,35,36)/b12-11-/t29-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OCC[NH3+]
MNX internals
InChI (mnx)InChI=1/C31H60NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31(34)40-29(27-37-30(33)23-4-2)28-39-41(35,36)38-26-25-32/h11-12,29H,3-10,13-28,32H2,1-2H3,(H,35,36)/b12-11-/t29-/m1/s1 Image of MNXM343602
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][C:31](=[O:34])[O:40][C@H:29]([CH2:27][O:37][C:30]([CH2:23][CH2:4][CH3:2])=[O:33])[CH2:28][O:39][P:41]([OH:35])(=[O:36])[O:38][CH2:26][CH2:25][NH2:32]
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:000035017
slm:000035017
NKGTYWFLHQVVJC-OPHGVGKPSA-N
1-butanoyl-2-(13Z-docosenoyl)-sn-glycero-3-phosphoethanolamine
PE(4:0/22:1(13Z))
Phosphatidylethanolamine (4:0/22:1(13Z))