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CHEBI:168584 - OHODiA-PS

ChEBI IDCHEBI:168584
ChEBI NameOHODiA-PS
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H56NO13P
Net Charge0
Average Mass693.768
Monoisotopic Mass693.34893
SMILESCCCCCCCC/C=C\CCCCCCCC(=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/C32H56NO13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30(37)43-23-27(24-44-47(41,42)45-25-28(33)32(39)40)46-31(38)20-17-18-26(34)21-22-29(35)36/h9-10,21-22,26-28,34H,2-8,11-20,23-25,33H2,1H3,(H,35,36)(H,39,40)(H,41,42)/b10-9-,22-21+/t26?,27-,28+/m1/s1
InChIKeyJGZJCSRMYKNZFS-XRWGASBYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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)
OHODiA-PS (CHEBI:168584) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(E)-8-[(2R)-1-[[(2S)-2-amino-2-carboxyethoxy]-hydroxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-4-hydroxy-8-oxooct-2-enoic acid
Manual XrefsDatabases
LMGP20040032LIPID MAPS