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CHEBI:197148 - PS(13:0/18:2(9Z,12Z))

ChEBI IDCHEBI:197148
ChEBI NamePS(13:0/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H68NO10P
Net Charge0
Average Mass717.922
Monoisotopic Mass717.45808
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C37H68NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-36(40)48-33(31-46-49(43,44)47-32-34(38)37(41)42)30-45-35(39)28-26-24-22-20-14-12-10-8-6-4-2/h11,13,16-17,33-34H,3-10,12,14-15,18-32,38H2,1-2H3,(H,41,42)(H,43,44)/b13-11-,17-16-/t33-,34+/m1/s1
InChIKeyHNEZWSVYJLINPH-XFGUBDCFSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
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)
PS(13:0/18:2(9Z,12Z)) (CHEBI:197148) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-tridecanoyloxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
113376105ChemSpider
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