CHEBI:132316 - S-dodecanoyl-4ʼ-phosphopantetheine

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ChEBI Name S-dodecanoyl-4ʼ-phosphopantetheine
ChEBI ID CHEBI:132316
ChEBI ASCII Name S-dodecanoyl-4'-phosphopantetheine
Definition An S-acyl-4ʼ-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4'-phosphate with the carboxy group of dodecanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H45N2O8PS
Net Charge 0
Average Mass 540.650
Monoisotopic Mass 540.26342
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)/t21-/m0/s1
InChIKey MVHUOSAYFQKAMT-NRFANRHFSA-N
SMILES C(NC(CCNC(=O)[C@@H](C(COP(O)(=O)O)(C)C)O)=O)CSC(=O)CCCCCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
cofactor
An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
(via pantothenic acids )
water-soluble vitamin (role)
Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine.
(via pantothenic acids )
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ChEBI Ontology
Outgoing S-dodecanoyl-4ʼ-phosphopantetheine (CHEBI:132316) has functional parent dodecanoic acid (CHEBI:30805)
S-dodecanoyl-4ʼ-phosphopantetheine (CHEBI:132316) has role mouse metabolite (CHEBI:75771)
S-dodecanoyl-4ʼ-phosphopantetheine (CHEBI:132316) is a S-acyl-4ʼ-phosphopantetheine (CHEBI:132310)
S-dodecanoyl-4ʼ-phosphopantetheine (CHEBI:132316) is conjugate acid of S-dodecanoyl-4ʼ-phosphopantetheine(2−) (CHEBI:132015)
Incoming S-dodecanoyl-4ʼ-phosphopantetheine(2−) (CHEBI:132015) is conjugate base of S-dodecanoyl-4ʼ-phosphopantetheine (CHEBI:132316)
IUPAC Name
S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-β-alanyl}amino)ethyl] dodecanethioate
Synonyms Sources
dodecanoyl-4ʼ-phosphopantetheine ChEBI
lauroyl-4-phosphopantetheine ChEBI
S-dodecanoyl-D-pantetheine 4'-phosphate ChEBI
S-lauroyl-4-phosphopantetheine ChEBI
S-lauroyl-D-pantetheine 4'-phosphate ChEBI
Manual Xref Database
8Q1 PDBeChem
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Last Modified
25 November 2019