CHEBI:196858 - PS(P-16:0/22:2(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-16:0/22:2(13Z,16Z))
ChEBI ID CHEBI:196858
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C44H82NO9P
Net Charge 0
Average Mass 800.112
Monoisotopic Mass 799.57272
InChI InChI=1S/C44H82NO9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(46)54-41(39-52-55(49,50)53-40-42(45)44(47)48)38-51-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h11,13,17,19,35,37,41-42H,3-10,12,14-16,18,20-34,36,38-40,45H2,1-2H3,(H,47,48)(H,49,50)/b13-11-,19-17-,37-35-/t41-,42+/m1/s1
InChIKey KZRSHVZSFLQTTN-XFVIXYEVSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
ChEBI Ontology
Outgoing PS(P-16:0/22:2(13Z,16Z)) (CHEBI:196858) is a ether lipid (CHEBI:64611)
PS(P-16:0/22:2(13Z,16Z)) (CHEBI:196858) is a glycerophosphoserine (CHEBI:35766)
IUPAC Name
(2S)-2-amino-3-[[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-[(Z)-hexadec-1-enoxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual Xrefs Databases
113376684 ChemSpider
LMGP03030026 LIPID MAPS
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