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CHEBI:185418 - PHOHA-PS

ChEBI IDCHEBI:185418
ChEBI NamePHOHA-PS
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H52NO12P
Net Charge0
Average Mass637.704
Monoisotopic Mass637.32271
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCC(O)/C=C/C=O
InChIInChI=1S/C29H52NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-27(33)39-21-25(42-28(34)19-18-24(32)16-15-20-31)22-40-43(37,38)41-23-26(30)29(35)36/h15-16,20,24-26,32H,2-14,17-19,21-23,30H2,1H3,(H,35,36)(H,37,38)/b16-15+/t24?,25-,26+/m1/s1
InChIKeyVIJFPBAJWYVKSQ-WQVBGXLGSA-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)
PHOHA-PS (CHEBI:185418) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-[(E)-4-hydroxy-7-oxohept-5-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
113380887ChemSpider
LMGP20040009LIPID MAPS