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CHEBI:15735 - S-formylmycothiol

ChEBI IDCHEBI:15735
ChEBI NameS-formylmycothiol
Stars
ASCII NameS-formylmycothiol
Secondary ChEBI IDsCHEBI:8957, CHEBI:12765, CHEBI:22045
Last Modified28 January 2015
DownloadsMolfile
FormulaC18H30N2O13S
Net Charge0
Average Mass514.506
Monoisotopic Mass514.14686
SMILES[H]C(=O)SC[C@H](NC(C)=O)C(=O)N[C@H]1[C@@H](O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H30N2O13S/c1-5(23)19-6(3-34-4-22)17(31)20-8-10(25)9(24)7(2-21)32-18(8)33-16-14(29)12(27)11(26)13(28)15(16)30/h4,6-16,18,21,24-30H,2-3H2,1H3,(H,19,23)(H,20,31)/t6-,7+,8+,9+,10+,11-,12-,13+,14+,15+,16-,18+/m0/s1
InChIKeyJFPVMCRFDBEEHF-QFVXKRNMSA-N
ChEBI Ontology
Outgoing Relation(s)
S-formylmycothiol (CHEBI:15735) has functional parent mycothiol (CHEBI:16768)
S-formylmycothiol (CHEBI:15735) is a 2-deoxy-α-D-glucoside (CHEBI:37449)
IUPAC Name 
(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-[(N-acetyl-S-formyl-L-cysteinyl)amino]-2-deoxy-α-D-glucopyranoside
Synonyms  Source
S-FormylmycothiolKEGG COMPOUND
1D-1-O-[2-(N-acetyl-S-formyl-L-cysteinamido)-2-deoxy-α-D-glucopyranosyl]-myo-inositolIUPAC
UniProt Name  Source
S-formylmycothiolUniProt
Manual XrefsDatabases
C06718KEGG COMPOUND
C06718KEGG COMPOUND