CHEBI:189565 - PS(O-18:0/12:0)

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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(O-18:0/12:0)
ChEBI ID CHEBI:189565
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H72NO9P
Net Charge 0
Average Mass 693.944
Monoisotopic Mass 693.49447
InChI InChI=1S/C36H72NO9P/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-43-30-33(31-44-47(41,42)45-32-34(37)36(39)40)46-35(38)28-26-24-22-20-12-10-8-6-4-2/h33-34H,3-32,37H2,1-2H3,(H,39,40)(H,41,42)/t33-,34+/m1/s1
InChIKey DLCOCSWFUKNXGG-NOCHOARKSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCC)COCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Metabolite of Species Details
Klebsiella pneumoniae (NCBI:txid573) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing PS(O-18:0/12:0) (CHEBI:189565) is a ether lipid (CHEBI:64611)
PS(O-18:0/12:0) (CHEBI:189565) is a glycerophosphoserine (CHEBI:35766)
IUPAC Name
(2S)-2-amino-3-[[(2R)-2-dodecanoyloxy-3-octadecoxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual Xrefs Databases
113376584 ChemSpider
LMGP03020018 LIPID MAPS
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