pantetheine 4'-phosphate (CHEBI:16858)

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ChEBI Name	pantetheine 4'-phosphate

ChEBI ID	CHEBI:16858

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:14736, CHEBI:7914, CHEBI:25844, CHEBI:11916, CHEBI:14735, CHEBI:14825, CHEBI:14738, CHEBI:29890

Supplier Information

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Formula

C11H23N2O7PS

Net Charge

Average Mass

358.34936

Monoisotopic Mass

358.09636

InChI

InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)

InChIKey

JDMUPRLRUUMCTL-UHFFFAOYSA-N

SMILES

CC(C)(COP(O)(O)=O)C(O)C(=O)NCCC(=O)NCCS

Roles Classification
Biological Role(s):	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 (via pantothenic acids )

ChEBI Ontology
Outgoing	pantetheine 4'-phosphate (CHEBI:16858) has role cofactor (CHEBI:23357) pantetheine 4'-phosphate (CHEBI:16858) is a phosphopantetheine (CHEBI:26073) pantetheine 4'-phosphate (CHEBI:16858) is a thiol (CHEBI:29256) pantetheine 4'-phosphate (CHEBI:16858) is conjugate acid of pantetheine 4'-phosphate(2−) (CHEBI:47942)

Incoming	D-pantetheine 4'-phosphate (CHEBI:4222) is a pantetheine 4'-phosphate (CHEBI:16858) pantetheine 4'-phosphate(2−) (CHEBI:47942) is conjugate base of pantetheine 4'-phosphate (CHEBI:16858)

IUPAC Name

N³-[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-β-alaninamide

Registry Number	Type	Source
2226-71-3	CAS Registry Number	ChemIDplus

Last Modified

25 July 2019