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CHEBI:169493 - PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)

ChEBI IDCHEBI:169493
ChEBI NamePS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44NO9P
Net Charge0
Average Mass569.632
Monoisotopic Mass569.27537
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C28H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(31)36-22-25(30)23-37-39(34,35)38-24-26(29)28(32)33/h3-4,6-7,9-10,12-13,15-16,18-19,25-26,30H,2,5,8,11,14,17,20-24,29H2,1H3,(H,32,33)(H,34,35)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t25-,26+/m1/s1
InChIKeyFZUFCKYWYUGORZ-SLSDLOGTSA-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(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) (CHEBI:169493) is a 1-acyl-sn-glycero-3-phosphoserine (CHEBI:52603)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
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