CHEBI:230945 - PS(22:4(7Z,10Z,13Z,16Z)/18:1(11Z))

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ChEBI Name PS(22:4(7Z,10Z,13Z,16Z)/18:1(11Z))
ChEBI ID CHEBI:230945
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H80NO10P
Net Charge 0
Average Mass 838.117
Monoisotopic Mass 837.55198
InChI InChI=1S/C46H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,25,27,42-43H,3-10,12,15,18,20,23-24,26,28-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,16-14-,19-17-,22-21-,27-25-/t42-,43+/m1/s1
InChIKey DIVRIDMVSIJVKN-PSFSCHPTSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). 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 PS(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)) (CHEBI:230945) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-amino-3-[[(2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual Xrefs Databases
74876237 ChemSpider
HMDB0112794 HMDB
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