CHEBI:191347 - 20:1-18:3-PS

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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 20:1-18:3-PS
ChEBI ID CHEBI:191347
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H77NO10P
Net Charge -1
Average Mass 811.071
Monoisotopic Mass 810.52906
InChI InChI=1S/C44H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,40-41H,3-5,7,9-11,13,15-16,20,22-39,45H2,1-2H3,(H,48,49)(H,50,51)/p-1/b8-6-,14-12-,19-17-,21-18-/t40-,41+/m1/s1
InChIKey QREHMAHNWVVNGX-LTOHLDJJSA-M
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OC[C@H]([NH3+])C([O-])=O)([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in hTERT-RPE1 cell (BTO:0004790). See: MetaboLights Study
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 20:1-18:3-PS (CHEBI:191347) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-azaniumyl-3-[[(2R)-3-[(Z)-icos-11-enoyl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate