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CHEBI:228111 - Cahuitamycin C

ChEBI IDCHEBI:228111
ChEBI NameCahuitamycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39N7O11
Net Charge0
Average Mass649.658
Monoisotopic Mass649.27076
SMILESCc1cccc(O)c1C1=N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](CCCN(O)C=O)C(=O)N2NCCC[C@@H]2C(=O)NCCC(=O)O)CO1
InChIInChI=1S/C28H39N7O11/c1-16-5-2-8-21(38)23(16)27-33-19(14-46-27)25(42)32-18(13-36)24(41)31-17(6-4-12-34(45)15-37)28(44)35-20(7-3-10-30-35)26(43)29-11-9-22(39)40/h2,5,8,15,17-20,30,36,38,45H,3-4,6-7,9-14H2,1H3,(H,29,43)(H,31,41)(H,32,42)(H,39,40)/t17-,18+,19+,20-/m1/s1
InChIKeyCEBZKLPHLLOCLA-FUMNGEBKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces gandocaensis (ncbitaxon:1649596) - PubMed (26880271)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cahuitamycin C (CHEBI:228111) is a peptide (CHEBI:16670)
IUPAC Name 
3-[[(3R)-2-[(2R)-5-[ormyl(hydroxy)amino]-2-[[(2S)-3-hydroxy-2-[[(4S)-2-(2-hydroxy-6-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]propanoyl]amino]pentanoyl]diazinane-3-carbonyl]amino]propanoic acid
Manual XrefsDatabases
58196896ChemSpider