CHEBI:132015 - S-dodecanoyl-4ʼ-phosphopantetheine(2−)

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ChEBI Name S-dodecanoyl-4ʼ-phosphopantetheine(2−) ChEBI ID CHEBI:132015 ChEBI ASCII Name S-dodecanoyl-4'-phosphopantetheine(2-) Definition An S-acyl-4-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-dodecanoyl-4ʼ-phosphopantetheine; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Lucila Aimo Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H43N2O8PS Net Charge -2 Average Mass 538.637 Monoisotopic Mass 538.24887 InChI InChI=1S/C23H45N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-20(27)35-17-16-24-19(26)14-15-25-22(29)21(28)23(2,3)18-33-34(30,31)32/h21,28H,4-18H2,1-3H3,(H,24,26)(H,25,29)(H2,30,31,32)/p-2/t21-/m0/s1 InChIKey MVHUOSAYFQKAMT-NRFANRHFSA-L SMILES C(NC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)CSC(=O)CCCCCCCCCCC ChEBI Ontology Outgoing S-dodecanoyl-4ʼ-phosphopantetheine(2−) (CHEBI:132015) is a S-acyl-4ʼ-phosphopantetheine(2−) (CHEBI:132023) S-dodecanoyl-4ʼ-phosphopantetheine(2−) (CHEBI:132015) is conjugate base of S-dodecanoyl-4ʼ-phosphopantetheine (CHEBI:132316) Incoming S-dodecanoyl-4ʼ-phosphopantetheine (CHEBI:132316) is conjugate acid of S-dodecanoyl-4ʼ-phosphopantetheine(2−) (CHEBI:132015) IUPAC Name N-[2-(dodecanoylsulfanyl)ethyl]-N3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-β-alaninamide Synonyms Sources dodecanoyl-4ʼ-phosphopantetheine(2−) SUBMITTER lauroyl-4'-phosphopantetheine(2−) ChEBI S-dodecanoyl-4ʼ-phosphopantetheine UniProt S-lauroyl-4'-phosphopantetheine(2−) ChEBI Citation Type Source 18799520 PubMed citation SUBMITTER Last Modified 07 May 2021