CHEBI:167990 - PKHdiA-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 PKHdiA-PS
ChEBI ID CHEBI:167990
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H50NO13P
Net Charge 0
Average Mass 651.687
Monoisotopic Mass 651.30198
InChI InChI=1S/C29H50NO13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-27(34)40-20-24(21-41-44(38,39)42-22-25(30)29(36)37)43-28(35)19-17-23(31)16-18-26(32)33/h16,18,24-25H,2-15,17,19-22,30H2,1H3,(H,32,33)(H,36,37)(H,38,39)/b18-16+/t24-,25+/m1/s1
InChIKey JLIOQNFUGAUGHJ-ZIHYZGTESA-N
SMILES P(OC[C@H](OC(=O)CCC(=O)/C=C/C(O)=O)COC(=O)CCCCCCCCCCCCCCC)(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 PKHdiA-PS (CHEBI:167990) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(E)-7-[(2R)-1-[[(2S)-2-amino-2-carboxyethoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-4,7-dioxohept-2-enoic acid
Manual Xref Database
LMGP20040012 LIPID MAPS
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