CHEBI:168102 - OKODiA-PS

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name OKODiA-PS
ChEBI ID CHEBI:168102
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H54NO13P
Net Charge 0
Average Mass 691.752
Monoisotopic Mass 691.33328
InChI InChI=1S/C32H54NO13P/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/h9-10,21-22,27-28H,2-8,11-20,23-25,33H2,1H3,(H,35,36)(H,39,40)(H,41,42)/b10-9-,22-21+/t27-,28+/m1/s1
InChIKey ZDJCOBZGDSYWKZ-DUGOBJRESA-N
SMILES P(OC[C@H](OC(=O)CCCC(=O)/C=C/C(O)=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via phosphatidyl-L-serine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing OKODiA-PS (CHEBI:168102) 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-4,8-dioxooct-2-enoic acid
Manual Xref Database
LMGP20040030 LIPID MAPS
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