CHEBI:185989 - PS(13:0/0:0)

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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(13:0/0:0)
ChEBI ID CHEBI:185989
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H38NO9P
Net Charge 0
Average Mass 455.485
Monoisotopic Mass 455.22842
InChI InChI=1S/C19H38NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-18(22)27-13-16(21)14-28-30(25,26)29-15-17(20)19(23)24/h16-17,21H,2-15,20H2,1H3,(H,23,24)(H,25,26)/t16-,17+/m1/s1
InChIKey JHFVXCSIKSVHNN-SJORKVTESA-N
SMILES P(OC[C@H](O)COC(=O)CCCCCCCCCCCC)(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(13:0/0:0) (CHEBI:185989) is a 1-acyl-sn-glycero-3-phosphoserine (CHEBI:52603)
IUPAC Name
(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-tridecanoyloxypropoxy]phosphoryl]oxypropanoic acid
Manual Xrefs Databases
24823094 ChemSpider
LMGP03050005 LIPID MAPS
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