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CHEBI:187514 - OHHdiA-PS

ChEBI IDCHEBI:187514
ChEBI NameOHHdiA-PS
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H54NO13P
Net Charge0
Average Mass679.741
Monoisotopic Mass679.33328
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCC(O)/C=C/C(=O)O
InChIInChI=1S/C31H54NO13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(36)42-22-26(23-43-46(40,41)44-24-27(32)31(38)39)45-30(37)21-19-25(33)18-20-28(34)35/h9-10,18,20,25-27,33H,2-8,11-17,19,21-24,32H2,1H3,(H,34,35)(H,38,39)(H,40,41)/b10-9-,20-18+/t25?,26-,27+/m1/s1
InChIKeyQIEJUDQZVLLPBX-FIGFAOPCSA-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)
OHHdiA-PS (CHEBI:187514) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(E)-7-[(2R)-1-[[(2S)-2-amino-2-carboxyethoxy]-hydroxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-4-hydroxy-7-oxohept-2-enoic acid
Manual XrefsDatabases
113380906ChemSpider
LMGP20040028LIPID MAPS