CHEBI:183046 - PS(22:0/0:0)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PS(22:0/0:0)
ChEBI ID CHEBI:183046
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H56NO9P
Net Charge 0
Average Mass 581.728
Monoisotopic Mass 581.36927
InChI InChI=1S/C28H56NO9P/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/h25-26,30H,2-24,29H2,1H3,(H,32,33)(H,34,35)/t25-,26+/m1/s1
InChIKey HRFWJAJQKOFYDE-FTJBHMTQSA-N
SMILES P(OC[C@H](O)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in Esophagus (BTO:0000959). See: MetaboLights Study
ChEBI Ontology
Outgoing PS(22:0/0:0) (CHEBI:183046) is a 1-acyl-sn-glycero-3-phosphoserine (CHEBI:52603)
IUPAC Name
(2S)-2-amino-3-[[(2R)-3-docosanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual Xrefs Databases
113376761 ChemSpider
LMGP03050025 LIPID MAPS
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