CHEBI:185717 - PS(P-18:0/22:2(13Z,16Z))

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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(P-18:0/22:2(13Z,16Z))
ChEBI ID CHEBI:185717
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H86NO9P
Net Charge 0
Average Mass 828.166
Monoisotopic Mass 827.60402
InChI InChI=1S/C46H86NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(48)56-43(41-54-57(51,52)55-42-44(47)46(49)50)40-53-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,37,39,43-44H,3-10,12,14-16,18,20-36,38,40-42,47H2,1-2H3,(H,49,50)(H,51,52)/b13-11-,19-17-,39-37-/t43-,44+/m1/s1
InChIKey SJPGJRXTKZRWPH-DXEVVIGZSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing PS(P-18:0/22:2(13Z,16Z)) (CHEBI:185717) is a ether lipid (CHEBI:64611)
PS(P-18:0/22:2(13Z,16Z)) (CHEBI:185717) is a glycerophosphoserine (CHEBI:35766)
IUPAC Name
(2S)-2-amino-3-[[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-[(Z)-octadec-1-enoxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual Xrefs Databases
107450907 ChemSpider
LMGP03030054 LIPID MAPS
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