EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:187193 - PHODiA-PS

ChEBI IDCHEBI:187193
ChEBI NamePHODiA-PS
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H54NO13P
Net Charge0
Average Mass667.730
Monoisotopic Mass667.33328
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCC(O)/C=C/C(=O)O
InChIInChI=1S/C30H54NO13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-28(35)41-21-25(22-42-45(39,40)43-23-26(31)30(37)38)44-29(36)18-15-16-24(32)19-20-27(33)34/h19-20,24-26,32H,2-18,21-23,31H2,1H3,(H,33,34)(H,37,38)(H,39,40)/b20-19+/t24?,25-,26+/m1/s1
InChIKeyPBKDABDYVMIXNI-KIXKYUBSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
PHODiA-PS (CHEBI:187193) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(E)-8-[(2R)-1-[[(2S)-2-amino-2-carboxyethoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-4-hydroxy-8-oxooct-2-enoic acid
Manual XrefsDatabases
113380885ChemSpider
LMGP20040007LIPID MAPS