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a bulgecin

PropertiesImage
MNX_IDMNXM1132146 Image of MNXM1132146
referencemetacycM:Bulgecins
formulaC15H26N2O11S
global charge0
mol weight442.443
InChIKeyLMHGOLSAOCIKRU-UHFFFAOYSA-N
InChIInChI=1S/C15H26N2O11S/c1-6(20)8-3-10(9(4-18)17-8)26-15-12(16-7(2)21)13(22)14(11(5-19)27-15)28-29(23,24)25/h8-15,17-19,22H,3-5H2,1-2H3,(H,16,21)(H,23,24,25)
SMILESCC(=O)NC1C(OC2CC(C(C)=O)NC2CO)OC(CO)C(OS(=O)(=O)O)C1O
MNX internals
InChI (mnx)InChI=1/C15H26N2O11S/c1-6(20)8-3-10(9(4-18)17-8)26-15-12(16-7(2)21)13(22)14(11(5-19)27-15)28-29(23,24)25/h8-15,17-19,22H,3-5H2,1-2H3,(H,16,21)(H,23,24,25)/t8?,9?,10?,11?,12?,13?,14?,15? Image of MNXM1132146
SMILES (mnx)[CH3:1][C:6]([CH:8]1[CH2:3][CH:10]([O:26][CH:15]2[CH:12]([N:16]=[C:7]([CH3:2])[OH:21])[CH:13]([OH:22])[CH:14]([O:28][S:29]([OH:23])(=[O:24])=[O:25])[CH:11]([CH2:5][OH:19])[O:27]2)[CH:9]([CH2:4][OH:18])[NH:17]1)=[O:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:Bulgecins
metacycM:Bulgecins
LMHGOLSAOCIKRU-UHFFFAOYSA-N 		a bulgecin