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1-acetyl-2-heneicosanoyl-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM343072 Image of MNXM343072
referenceslm:000034985
formulaC28H56NO8P
global charge0
mol weight565.729
InChIKeyKGLMXXMWNBMDSQ-HHHXNRCGSA-N
InChIInChI=1S/C28H56NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(31)37-27(24-34-26(2)30)25-36-38(32,33)35-23-22-29/h27H,3-25,29H2,1-2H3,(H,32,33)/t27-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])OCC[NH3+]
MNX internals
InChI (mnx)InChI=1/C28H56NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(31)37-27(24-34-26(2)30)25-36-38(32,33)35-23-22-29/h27H,3-25,29H2,1-2H3,(H,32,33)/t27-/m1/s1 Image of MNXM343072
SMILES (mnx)[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C:28](=[O:31])[O:37][C@H:27]([CH2:24][O:34][C:26]([CH3:2])=[O:30])[CH2:25][O:36][P:38]([OH:32])(=[O:33])[O:35][CH2:23][CH2:22][NH2:29]
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:000034985
slm:000034985
KGLMXXMWNBMDSQ-HHHXNRCGSA-N
1-acetyl-2-heneicosanoyl-sn-glycero-3-phosphoethanolamine
PE(2:0/21:0)
Phosphatidylethanolamine (2:0/21:0)