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CHEBI:186392 - Hoiamide C

ChEBI IDCHEBI:186392
ChEBI NameHoiamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H62N4O7S3
Net Charge0
Average Mass771.125
Monoisotopic Mass770.37806
SMILESCCC[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](Cc1nc(C2=N[C@@](C)(C3=N[C@@](C)(C(=O)N[C@H]([C@@H](O)[C@@H](C)C(=O)OCC)[C@@H](C)CC)CS3)CS2)cs1)OC
InChIInChI=1S/C37H62N4O7S3/c1-12-15-21(5)29(42)23(7)30(43)22(6)26(47-11)16-27-38-25(17-49-27)32-40-37(10,19-50-32)35-41-36(9,18-51-35)34(46)39-28(20(4)13-2)31(44)24(8)33(45)48-14-3/h17,20-24,26,28-31,42-44H,12-16,18-19H2,1-11H3,(H,39,46)/t20-,21+,22-,23-,24+,26-,28-,29-,30-,31-,36+,37+/m0/s1
InChIKeySTGNMXQTWDOGSE-FUVSMVGWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Hoiamide C (CHEBI:186392) has functional parent γ-amino acid (CHEBI:33707)
Hoiamide C (CHEBI:186392) is a organonitrogen compound (CHEBI:35352)
Hoiamide C (CHEBI:186392) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
ethyl (2R,3S,4S,5S)-4-[[(4S)-2-[(4R)-2-[2-[(2S,3R,4R,5S,6S,7R)-4,6-dihydroxy-2-methoxy-3,5,7-trimethyldecyl]-1,3-thiazol-4-yl]-4-methyl-5H-1,3-thiazol-4-yl]-4-methyl-5H-1,3-thiazole-4-carbonyl]amino]-3-hydroxy-2,5-dimethylheptanoate
Manual XrefsDatabases
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