CHEBI:182160 - (Stearoyl)adenylate

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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 (Stearoyl)adenylate
ChEBI ID CHEBI:182160
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C28H48N5O8P
Net Charge 0
Average Mass 613.693
Monoisotopic Mass 613.32405
InChI InChI=1S/C28H48N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(34)41-42(37,38)39-18-21-24(35)25(36)28(40-21)33-20-32-23-26(29)30-19-31-27(23)33/h19-21,24-25,28,35-36H,2-18H2,1H3,(H,37,38)(H2,29,30,31)/t21-,24-,25-,28-/m1/s1
InChIKey SWOLRYFPKWBFHG-VGSCBBJJSA-N
SMILES P(OC[C@H]1O[C@@H](N2C3=NC=NC(N)=C3N=C2)[C@H](O)[C@@H]1O)(OC(=O)CCCCCCCCCCCCCCCCC)(O)=O
ChEBI Ontology
Outgoing (Stearoyl)adenylate (CHEBI:182160) is a 5'-acylphosphoadenosine (CHEBI:16406)
IUPAC Name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] octadecanoate
Manual Xref Database
C22132 KEGG COMPOUND
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