CHEBI:191333 - 18:2-18:3-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 18:2-18:3-PS
ChEBI ID CHEBI:191333
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H71NO10P
Net Charge -1
Average Mass 781.001
Monoisotopic Mass 780.48211
InChI InChI=1S/C42H72NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,38-39H,3-5,7,9-10,15-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/p-1/b8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39+/m1/s1
InChIKey BUZGPRVYXXZJOM-LCWFRSHRSA-M
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(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 18:2-18:3-PS (CHEBI:191333) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-azaniumyl-3-[[(2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate