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S-formylmycothiol

Properties

Image

Occurences in reactions

MNX_ID

MNXM1854

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₁₈H₃₀N₂O₁₃S

charge

mass

514.14686

reference

chebi:15735

InChIKey

JFPVMCRFDBEEHF-QFVXKRNMSA-N

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

SMILES

CC(=O)N[C@@H](CSC=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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-879271 reactomeM:R-ALL-879271 CHEBI:15735 chebi:15735	S-formylmycothiol (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-[(N-acetyl-S-formyl-L-cysteinyl)amino]-2-deoxy-alpha-D-glucopyranoside 1D-1-O-[2-(N-acetyl-S-formyl-L-cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-myo-inositol S-Formylmycothiol
sabiork.compound:8863 sabiorkM:8863 kegg.compound:C06718 keggC:C06718	S-Formylmycothiol
seed.compound:cpd04106 seedM:cpd04106	S-Formylmycothiol MSCH2OH S-formylmycothiol
metacyc.compound:CPD1G-121 metacycM:CPD1G-121	S-formylmycothiol MSCH2OH
chebi:12765 chebi:22045 chebi:8957 keggC:M_C06718 seedM:M_cpd04106	secondary/obsolete/fantasy identifier