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CHEBI:230318 - PS(16:0/5-iso PGF2VI)

ChEBI IDCHEBI:230318
ChEBI NamePS(16:0/5-iso PGF2VI)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H72NO13P
Net Charge0
Average Mass805.984
Monoisotopic Mass805.47413
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)C/C=C\C[C@H]1[C@@H](/C=C/[C@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C40H72NO13P/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-23-38(45)51-28-32(29-52-55(49,50)53-30-35(41)40(47)48)54-39(46)24-20-19-22-33-34(37(44)27-36(33)43)26-25-31(42)21-17-6-4-2/h19-20,25-26,31-37,42-44H,3-18,21-24,27-30,41H2,1-2H3,(H,47,48)(H,49,50)/b20-19-,26-25+/t31-,32-,33+,34-,35+,36+,37-/m1/s1
InChIKeyCFHPXZTYRQIJBL-AIJLAYRXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PS(16:0/5-iso PGF2VI) (CHEBI:230318) is a prostanoid (CHEBI:26347)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-[(Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoyl]oxy-3-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
HMDB0281154HMDB
128424445ChemSpider