CHEBI:178657 - PS(21:0/15:0)

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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(21:0/15:0)
ChEBI ID CHEBI:178657
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H82NO10P
Net Charge 0
Average Mass 792.089
Monoisotopic Mass 791.56763
InChI InChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-23-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1
InChIKey GAGHBLJXRGTJMT-RGULYWFUSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via phosphatidyl-L-serine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PS(21:0/15:0) (CHEBI:178657) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-amino-3-[[(2R)-3-henicosanoyloxy-2-pentadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual Xref Database
LMGP03010678 LIPID MAPS
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