CHEBI:179767 - PS(15:1(9Z)/21:0)

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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(15:1(9Z)/21:0)
ChEBI ID CHEBI:179767
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H80NO10P
Net Charge 0
Average Mass 790.073
Monoisotopic Mass 789.55198
InChI InChI=1S/C42H80NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-41(45)53-38(36-51-54(48,49)52-37-39(43)42(46)47)35-50-40(44)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h12,14,38-39H,3-11,13,15-37,43H2,1-2H3,(H,46,47)(H,48,49)/b14-12-/t38-,39+/m1/s1
InChIKey UOQGYACPWSENOH-JMKDLZGBSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCC)(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(15:1(9Z)/21:0) (CHEBI:179767) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-amino-3-[[(2R)-2-henicosanoyloxy-3-[(Z)-pentadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual Xref Database
LMGP03010186 LIPID MAPS
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