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CHEBI:169027 - PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)

ChEBI IDCHEBI:169027
ChEBI NamePS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42NO9P
Net Charge0
Average Mass543.594
Monoisotopic Mass543.25972
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C26H42NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)34-20-23(28)21-35-37(32,33)36-22-24(27)26(30)31/h3-4,6-7,9-10,12-13,15-16,23-24,28H,2,5,8,11,14,17-22,27H2,1H3,(H,30,31)(H,32,33)/b4-3-,7-6-,10-9-,13-12-,16-15-/t23-,24+/m1/s1
InChIKeyGXWJRGLFYSTLKU-AQFYTDKMSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) (CHEBI:169027) is a 1-acyl-sn-glycero-3-phosphoserine (CHEBI:52603)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
LMGP03050027LIPID MAPS