CHEBI:183040 - PS(18:2(9Z,12Z)/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(18:2(9Z,12Z)/0:0)
ChEBI ID CHEBI:183040
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H44NO9P
Net Charge 0
Average Mass 521.588
Monoisotopic Mass 521.27537
InChI InChI=1S/C24H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h6-7,9-10,21-22,26H,2-5,8,11-20,25H2,1H3,(H,28,29)(H,30,31)/b7-6-,10-9-/t21-,22+/m1/s1
InChIKey HLISFLFEEBTXRV-FRZHUQNDSA-N
SMILES P(OC[C@H](O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in serum (BTO:0001239). See: MetaboLights Study
Rattus norvegicus (NCBI:txid10116) Found in Esophagus (BTO:0000959). See: MetaboLights Study
ChEBI Ontology
Outgoing PS(18:2(9Z,12Z)/0:0) (CHEBI:183040) is a 1-acyl-sn-glycero-3-phosphoserine (CHEBI:52603)
IUPAC Name
(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Manual Xrefs Databases
113376747 ChemSpider
LMGP03050011 LIPID MAPS
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