CHEBI:187193 - PHODiA-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 PHODiA-PS
ChEBI ID CHEBI:187193
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H54NO13P
Net Charge 0
Average Mass 667.730
Monoisotopic Mass 667.33328
InChI InChI=1S/C30H54NO13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-28(35)41-21-25(22-42-45(39,40)43-23-26(31)30(37)38)44-29(36)18-15-16-24(32)19-20-27(33)34/h19-20,24-26,32H,2-18,21-23,31H2,1H3,(H,33,34)(H,37,38)(H,39,40)/b20-19+/t24?,25-,26+/m1/s1
InChIKey PBKDABDYVMIXNI-KIXKYUBSSA-N
SMILES P(OC[C@H](OC(=O)CCCC(O)/C=C/C(O)=O)COC(=O)CCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] 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 PHODiA-PS (CHEBI:187193) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(E)-8-[(2R)-1-[[(2S)-2-amino-2-carboxyethoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-4-hydroxy-8-oxooct-2-enoic acid
Manual Xrefs Databases
113380885 ChemSpider
LMGP20040007 LIPID MAPS
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