EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226915 - SB-203208

ChEBI IDCHEBI:226915
ChEBI NameSB-203208
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42N6O9S
Net Charge0
Average Mass650.755
Monoisotopic Mass650.27340
SMILESCC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@@]1(C(=O)O)[C@@H](OC(=O)[C@@H](N)[C@@H](C)c2ccccc2)C[C@H]2C(C(N)=O)=CN(C)C[C@H]21
InChIInChI=1S/C29H42N6O9S/c1-5-15(2)23(30)26(38)34-45(42,43)14-22(36)33-29(28(40)41)20-13-35(4)12-19(25(32)37)18(20)11-21(29)44-27(39)24(31)16(3)17-9-7-6-8-10-17/h6-10,12,15-16,18,20-21,23-24H,5,11,13-14,30-31H2,1-4H3,(H2,32,37)(H,33,36)(H,34,38)(H,40,41)/t15-,16-,18-,20+,21-,23-,24-,29+/m0/s1
InChIKeyUEPCEXDSBHEBAB-DLKTYGRBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (10866218)
ChEBI Ontology
Outgoing Relation(s)
SB-203208 (CHEBI:226915) is a isoleucine derivative (CHEBI:24899)
SB-203208 (CHEBI:226915) is conjugate acid of SB-203208(1−) (CHEBI:232092)
Incoming Relation(s)
SB-203208(1−) (CHEBI:232092) is conjugate base of SB-203208 (CHEBI:226915)
IUPAC Name 
(4aR,6S,7R,7aS)-7-[[2-[[(2S,3S)-2-amino-3-methylpentanoyl]sulamoyl]acetyl]amino]-6-[(2S,3S)-2-amino-3-phenylbutanoyl]oxy-4-carbamoyl-2-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyridine-7-carboxylic acid
Manual XrefsDatabases
8803394ChemSpider