CHEBI:15735 - S-formylmycothiol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name S-formylmycothiol
ChEBI ID CHEBI:15735
ChEBI ASCII Name S-formylmycothiol
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12765, CHEBI:22045, CHEBI:8957
Supplier Information
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Formula C18H30N2O13S
Net Charge 0
Average Mass 514.50248
Monoisotopic Mass 514.14686
InChI InChI=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
InChIKey JFPVMCRFDBEEHF-QFVXKRNMSA-N
SMILES [H]C(=O)SC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
ChEBI Ontology
Outgoing 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 Sources
1D-1-O-[2-(N-acetyl-S-formyl-L-cysteinamido)-2-deoxy-α-D-glucopyranosyl]-myo-inositol IUPAC
S-Formylmycothiol KEGG COMPOUND
S-formylmycothiol UniProt
Manual Xref Database
C06718 KEGG COMPOUND
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Last Modified
28 January 2015