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CHEBI:187195 - PHODA-PS

ChEBI IDCHEBI:187195
ChEBI NamePHODA-PS
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H62NO12P
Net Charge0
Average Mass707.839
Monoisotopic Mass707.40096
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCC(O)/C=C/C=O
InChIInChI=1S/C34H62NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-32(38)44-26-30(27-45-48(42,43)46-28-31(35)34(40)41)47-33(39)24-19-16-13-14-17-21-29(37)22-20-25-36/h20,22,25,29-31,37H,2-19,21,23-24,26-28,35H2,1H3,(H,40,41)(H,42,43)/b22-20+/t29?,30-,31+/m1/s1
InChIKeyVAEWMEWEXYIQLV-UJEDWZGGSA-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)
PHODA-PS (CHEBI:187195) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-[(E)-9-hydroxy-12-oxododec-10-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
113380879ChemSpider
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