CHEBI:179123 - PS(17:2(9Z,12Z)/17:0)

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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(17:2(9Z,12Z)/17:0)
ChEBI ID CHEBI:179123
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H74NO10P
Net Charge 0
Average Mass 760.003
Monoisotopic Mass 759.50503
InChI InChI=1S/C40H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,15,17,36-37H,3-8,10,12-14,16,18-35,41H2,1-2H3,(H,44,45)(H,46,47)/b11-9-,17-15-/t36-,37+/m1/s1
InChIKey DMBFNMXEPYHXEG-CBIJSSGGSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCC)(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(17:2(9Z,12Z)/17:0) (CHEBI:179123) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-amino-3-[[(2R)-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-heptadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual Xref Database
LMGP03010286 LIPID MAPS
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