CHEBI:230636 - PC(24:0/LTE4)

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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 PC(24:0/LTE4)
ChEBI ID CHEBI:230636
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C55H101N2O11PS
Net Charge 0
Average Mass 1029.450
Monoisotopic Mass 1028.68637
InChI InChI=1S/C55H101N2O11PS/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-43-54(61)65-46-49(47-67-69(63,64)66-45-44-57(3,4)5)68-55(62)50(56)48-70-52(51(58)40-39-42-53(59)60)41-37-35-33-31-29-19-17-15-13-11-9-7-2/h15,17,29,31,33,35,37,41,49-52,58H,6-14,16,18-28,30,32,34,36,38-40,42-48,56H2,1-5H3,(H-,59,60,63,64)/b17-15-,31-29-,35-33+,41-37+/t49-,50+,51+,52-/m1/s1
InChIKey QFWGHIFZWZVLIF-CNKATFKJSA-N
SMILES S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC)C[C@H](N)C(O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP(OCC[N+](C)(C)C)([O-])=O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing PC(24:0/LTE4) (CHEBI:230636) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2-[(2R)-2-amino-3-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulanylpropanoyl]oxy-3-tetracosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xref Database
HMDB0288628 HMDB
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