CHEBI:181909 - Bis(N-pantothenylamidoethyl) disulfide

ChEBI IDCHEBI:181909
ChEBI NameBis(N-pantothenylamidoethyl) disulfide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H42N4O8S2
Net Charge0
Average Mass554.732
Monoisotopic Mass554.24441
SMILESCC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO
InChIInChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)
InChIKeyDJWYOLJPSHDSAL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Bis(N-pantothenylamidoethyl) disulfide (CHEBI:181909) has functional parent β-amino acid (CHEBI:33706)
Bis(N-pantothenylamidoethyl) disulfide (CHEBI:181909) is a organonitrogen compound (CHEBI:35352)
Bis(N-pantothenylamidoethyl) disulfide (CHEBI:181909) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
N-[3-[2-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]ethyldisulanyl]ethylamino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
Manual XrefsDatabases
4515ChemSpider
C12661KEGG COMPOUND
D01234KEGG DRUG