CHEBI:186392 - Hoiamide C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Hoiamide C
ChEBI ID CHEBI:186392
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C37H62N4O7S3
Net Charge 0
Average Mass 771.100
Monoisotopic Mass 770.37806
InChI InChI=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
InChIKey STGNMXQTWDOGSE-FUVSMVGWSA-N
SMILES S1C[C@@](N=C1[C@@]2(N=C(SC2)C=3N=C(SC3)C[C@H](OC)[C@@H]([C@H](O)[C@H]([C@@H](O)[C@@H](CCC)C)C)C)C)(C(=O)N[C@@H]([C@H](CC)C)[C@@H](O)[C@@H](C)C(OCC)=O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
25032428 ChemSpider
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