CHEBI:185086 - PS(12:0/18:4(6Z,9Z,12Z,15Z))

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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 PS(12:0/18:4(6Z,9Z,12Z,15Z))
ChEBI ID CHEBI:185086
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H62NO10P
Net Charge 0
Average Mass 699.863
Monoisotopic Mass 699.41113
InChI InChI=1S/C36H62NO10P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-35(39)47-32(30-45-48(42,43)46-31-33(37)36(40)41)29-44-34(38)27-25-23-21-19-12-10-8-6-4-2/h5,7,11,13,15-16,18,20,32-33H,3-4,6,8-10,12,14,17,19,21-31,37H2,1-2H3,(H,40,41)(H,42,43)/b7-5-,13-11-,16-15-,20-18-/t32-,33+/m1/s1
InChIKey CSIWWWUMEQKZRR-QWMSTBEHSA-N
SMILES P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC)(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 PS(12:0/18:4(6Z,9Z,12Z,15Z)) (CHEBI:185086) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-amino-3-[[(2R)-3-dodecanoyloxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual Xrefs Databases
113376083 ChemSpider
LMGP03010056 LIPID MAPS
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