S-Formylmycothiol
Molecular Formula:
C18H30N2O13S
InChI: InChI=1/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/f/h19-20H
InChIKey: InChIKey=JFPVMCRFDBEEHF-YZHHXAHTDK
SMILES: CC(=O)NC(CSC=O)C(=O)NC1C(C(C(OC1OC2C(C(C(C(C2O)O)O)O)O)CO)O)O
Names:
C06718
S-Formylmycothiol
(2S)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy-oxan-3-yl]-3-formylsulfanyl-propanamide
Registries:
PubChem CID 11953886
PubChem ID 8941
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