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CHEBI:77749 - 1-palmitoyl-2-(10-hydroperoxy-8E-octadecenoyl)-sn-glycero-3-phosphocholine

Default Structure
ChEBI IDCHEBI:77749
ChEBI Name1-palmitoyl-2-(10-hydroperoxy-8E-octadecenoyl)-sn-glycero-3-phosphocholine
Stars
ASCII Name1-palmitoyl-2-(10-hydroperoxy-8E-octadecenoyl)-sn-glycero-3-phosphocholine
Definitionis_a_ CHEBI:64517 in which 1 and 2-acyl groups are specified as hexadecanoyl and 10-hydroperoxy 8E-octadecenoyl respectively.
Last Modified1 December 2014
Submitternhn
DownloadsMolfile
FormulaC42H82NO10P
Net Charge0
Average Mass792.089
Monoisotopic Mass791.56763
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC/C=C/C(CCCCCCCC)OO
InChIInChI=1S/C42H82NO10P/c1-6-8-10-12-14-15-16-17-18-19-20-25-29-33-41(44)49-37-40(38-51-54(47,48)50-36-35-43(3,4)5)52-42(45)34-30-26-22-21-24-28-32-39(53-46)31-27-23-13-11-9-7-2/h28,32,39-40H,6-27,29-31,33-38H2,1-5H3,(H-,46,47,48)/b32-28+/t39?,40-/m1/s1
InChIKeyWDVMUQGXOAZRKX-JLMWPCEGSA-N
ChEBI Ontology
Outgoing Relation(s)
1-palmitoyl-2-(10-hydroperoxy-8E-octadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:77749) is a organic molecular entity (CHEBI:50860)
Synonym  Source
1-O-hexadecyl-2-(10-hydroperoxy-8E-octadecenoyl)-sn-glycero-3-phosphocholineSUBMITTER
UniProt Name  Source
1-hexadecanoyl-2-(10-hydroperoxy-8E-octadecenoyl)-sn-glycero-3-phosphocholineUniProt
Citations